surface_name	site_name	species_name	formation_energy	integral_formation_energy	coverage	coadsorbate_name	coadsorbate_coverage	bulk_structure	frequencies	other_parameters	reference	ensemble_path
None	gas	CH3CH2OH	-0.73	-0.73	0.00	None	0.00	fcc	[3653.0, 2984.0, 2939.0, 2900.0, 1490.0, 1464.0, 1412.0, 1371.0, 1256.0, 1091.0, 1028.0, 888.0, 417.0, 2991.0, 2910.0, 1446.0, 1275.0, 1161.0, 812.0]	[]	/u/if/ajmedfor/nfs/data//dft/molecules/CH3CH2OH/gas/qn/vacuum-10/calc-esp_BEEF_500111_0/converged.log	/u/if/ajmedfor/nfs/data//dft/molecules/CH3CH2OH/gas/bee/vacuum-10/calc-esp_BEEF_500111_ens/CH3CH2OH.bee
None	gas	CH3CHO	-0.52	-0.52	0.00	None	0.00	fcc	[3005.0, 2917.0, 2822.0, 1743.0, 1441.0, 1400.0, 1352.0, 1113.0, 919.0, 509.0, 2967.0, 1420.0, 867.0, 763.0, 150.0]	[]	/u/if/ajmedfor/nfs/data//dft/molecules/CH3CHO/gas/qn/vacuum-10/calc-esp_BEEF_500111_0/converged.log	/u/if/ajmedfor/nfs/data//dft/molecules/CH3CHO/gas/bee/vacuum-10/calc-esp_BEEF_500111_ens/CH3CHO.bee
None	gas	CH3OH	0.0	0.0	0.00	None	0.00	fcc	[3681.0, 3000.0, 2844.0, 1477.0, 1455.0, 1345.0, 1060.0, 1033.0, 2960.0, 1477.0, 1165.0, 200.0]	[]	/u/if/ajmedfor/nfs/data//dft/molecules/CH3OH/gas/qn/vacuum-10/calc-esp_BEEF_500111_0/converged.log	/u/if/ajmedfor/nfs/data//dft/molecules/CH3OH/gas/bee/vacuum-10/calc-esp_BEEF_500111_ens/CH3OH.bee
None	gas	CH4	-0.58	-0.58	0.00	None	0.00	fcc	[2917.0, 1534.0, 1534.0, 3019.0, 3019.0, 3019.0, 1306.0, 1306.0, 1306.0]	[]	/u/if/ajmedfor/nfs/data//dft/molecules/CH4/gas/qn/vacuum-10/calc-esp_BEEF_500111_0/converged.log	/u/if/ajmedfor/nfs/data//dft/molecules/CH4/gas/bee/vacuum-10/calc-esp_BEEF_500111_ens/CH4.bee
None	gas	CO	0.0	0.0	0.00	None	0.00	fcc	[2170.0]	[]	/u/if/ajmedfor/nfs/data//dft/molecules/CO/gas/qn/vacuum-10/calc-esp_BEEF_500111_0/converged.log	/u/if/ajmedfor/nfs/data//dft/molecules/CO/gas/bee/vacuum-10/calc-esp_BEEF_500111_ens/CO.bee
None	gas	H2	0.73	0.73	0.00	None	0.00	fcc	[4401.0]	[]	/u/if/ajmedfor/nfs/data//dft/molecules/H2/gas/qn/vacuum-10/calc-esp_BEEF_500111_0/converged.log	/u/if/ajmedfor/nfs/data//dft/molecules/H2/gas/bee/vacuum-10/calc-esp_BEEF_500111_ens/H2.bee
None	gas	H2O	0.0	0.0	0.00	None	0.00	fcc	[3657.0, 1595.0, 3756.0]	[]	/u/if/ajmedfor/nfs/data//dft/molecules/H2O/gas/qn/vacuum-10/calc-esp_BEEF_500111_0/converged.log	/u/if/ajmedfor/nfs/data//dft/molecules/H2O/gas/bee/vacuum-10/calc-esp_BEEF_500111_ens/H2O.bee
Rh	111	2CO	-3.32	-0.37	0.11	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#2CO-hcp/calc-esp_BEEF_500441_1/Rh_2CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#2CO-hcp/calc-esp_BEEF_500441_ens/2CO.bee
Rh	111	3CO	-4.96	-0.55	0.11	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#3CO-hcp/calc-esp_BEEF_500441_1/Rh_3CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#3CO-hcp/calc-esp_BEEF_500441_ens/3CO.bee
Rh	111	4CO	-6.37	-0.71	0.11	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp/calc-esp_BEEF_500441_1/4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp/calc-esp_BEEF_500441_ens/4CO.bee
Rh	111	5CO	-7.84	-0.87	0.11	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp/calc-esp_BEEF_500441_1/Rh_5CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp/calc-esp_BEEF_500441_ens/5CO.bee
Rh	111	C	-0.13	-0.01	0.11	None	0.00	fcc	[465.0, 490.0, 536.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#C-bridge/calc-esp_BEEF_500441_1/Rh_C_bridge.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#C-bridge/calc-esp_BEEF_500441_ens/C.bee
Rh	111	C	0.85	-0.78	0.11	CO	0.55	fcc	[465.0, 490.0, 536.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#C-fcc/calc-esp_BEEF_500441_1/Rh_111_C-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#C-bridge/calc-esp_BEEF_500441_ens/5CO-hcp+C-bridge.bee
Rh	111	C-CO	-0.6	-0.07	0.11	None	0.00	fcc	[95.0, 258.0, 345.0, 404.0, 498.0, 507.0, 591.0, 1930.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#C@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	C-H	0.9	0.1	0.11	None	0.00	fcc	[56.0, 435.0, 454.0, 511.0, 1203.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#C@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CCH2O	-0.32	-0.04	0.11	None	0.00	fcc	[56.0, 110.0, 238.0, 414.0, 451.0, 470.0, 610.0, 925.0, 934.0, 1062.0, 1096.0, 1257.0, 1413.0, 2898.0, 2976.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCH2O-br/calc-esp_BEEF_500441_1/Rh_CCH2O-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCH2O-br/calc-esp_BEEF_500441_ens/CCH2O.bee
Rh	111	CCH2O	0.89	-0.77	0.11	CO	0.55	fcc	[56.0, 110.0, 238.0, 414.0, 451.0, 470.0, 610.0, 925.0, 934.0, 1062.0, 1096.0, 1257.0, 1413.0, 2898.0, 2976.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCH2O-br/calc-esp_BEEF_500441_1/Rh_111_CCH2O-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCH2O-br/calc-esp_BEEF_500441_ens/5CO-hcp+CCH2O-br.bee
Rh	111	CCH2OH	-0.32	-0.91	0.11	CO	0.55	fcc	[56.0, 56.0, 240.0, 301.0, 359.0, 410.0, 427.0, 603.0, 931.0, 970.0, 1032.0, 1165.0, 1288.0, 1420.0, 1491.0, 2957.0, 3037.0, 3668.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCH2OH-fbr0/calc-esp_BEEF_500441_1/Rh_111_CCH2OH-fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCH2OH-sbr0/calc-esp_BEEF_500441_ens/5CO-hcp+CCH2OH-sbr0.bee
Rh	111	CCH2OH	-1.11	-0.12	0.11	None	0.00	fcc	[56.0, 56.0, 240.0, 301.0, 359.0, 410.0, 427.0, 603.0, 931.0, 970.0, 1032.0, 1165.0, 1288.0, 1420.0, 1491.0, 2957.0, 3037.0, 3668.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCH2OH-fbr0/calc-esp_BEEF_500441_1/Rh_CCH2OH_fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCH2OH-fbr0/calc-esp_BEEF_500441_ens/CCH2OH.bee
Rh	111	CCHO	-0.43	-0.92	0.11	CO	0.55	fcc	[56.0, 56.0, 273.0, 313.0, 351.0, 440.0, 653.0, 955.0, 1023.0, 1240.0, 1628.0, 2854.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCHO-fbr0/calc-esp_BEEF_500441_1/Rh_111_CCHO-fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCHO-fbr0/calc-esp_BEEF_500441_ens/5CO-hcp+CCHO-fbr0.bee
Rh	111	CCHO	-1.04	-0.12	0.11	None	0.00	fcc	[56.0, 56.0, 273.0, 313.0, 351.0, 440.0, 653.0, 955.0, 1023.0, 1240.0, 1628.0, 2854.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCHO-sbr0/calc-esp_BEEF_500441_1/Rh_CCHO_sbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCHO-sbr0/calc-esp_BEEF_500441_ens/CCHO.bee
Rh	111	CCHOH	-0.77	-0.96	0.11	CO	0.55	fcc	[56.0, 175.0, 258.0, 347.0, 405.0, 462.0, 650.0, 712.0, 803.0, 1120.0, 1263.0, 1340.0, 1446.0, 3149.0, 3521.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCHOH-fbr0/calc-esp_BEEF_500441_1/Rh_111_CCHOH-fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCHOH-fbr0/calc-esp_BEEF_500441_ens/5CO-hcp+CCHOH-fbr0.bee
Rh	111	CCHOH	-1.15	-0.13	0.11	None	0.00	fcc	[56.0, 175.0, 258.0, 347.0, 405.0, 462.0, 650.0, 712.0, 803.0, 1120.0, 1263.0, 1340.0, 1446.0, 3149.0, 3521.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCHOH-sbr2/calc-esp_BEEF_500441_1/Rh_CCHOH_sbr2.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCHOH-sbr2/calc-esp_BEEF_500441_ens/CCHOH.bee
Rh	111	CCHOOH	-0.54	-0.06	0.11	None	0.00	fcc	[56.0, 77.0, 198.0, 291.0, 385.0, 440.0, 483.0, 535.0, 573.0, 688.0, 861.0, 980.0, 1035.0, 1190.0, 1279.0, 1378.0, 2968.0, 3596.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCHOOH-hcp/calc-esp_BEEF_500441_1/Rh_CCHOOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCHOOH-hcp/calc-esp_BEEF_500441_ens/CCHOOH.bee
Rh	111	CCHOOH	0.51	-0.81	0.11	CO	0.55	fcc	[56.0, 77.0, 198.0, 291.0, 385.0, 440.0, 483.0, 535.0, 573.0, 688.0, 861.0, 980.0, 1035.0, 1190.0, 1279.0, 1378.0, 2968.0, 3596.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCHOOH-hcp/calc-esp_BEEF_500441_1/Rh_111_CCHOOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCHOOH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CCHOOH-hcp.bee
Rh	111	CCO	-0.86	-0.97	0.11	CO	0.55	fcc	[56.0, 169.0, 308.0, 358.0, 374.0, 557.0, 574.0, 1227.0, 2093.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCO-fbr0/calc-esp_BEEF_500441_1/Rh_111_CCO-fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCO-fbr0/calc-esp_BEEF_500441_ens/5CO-hcp+CCO-fbr0.bee
Rh	111	CCO	-1.38	-0.15	0.11	None	0.00	fcc	[56.0, 169.0, 308.0, 358.0, 374.0, 557.0, 574.0, 1227.0, 2093.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCO-fbr0/calc-esp_BEEF_500441_1/Rh_CCO_fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCO-fbr0/calc-esp_BEEF_500441_ens/CCO.bee
Rh	111	CCOH	-0.56	-0.06	0.11	None	0.00	fcc	[56.0, 252.0, 368.0, 377.0, 411.0, 472.0, 586.0, 665.0, 1038.0, 1321.0, 1559.0, 3621.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCOH-sbr0/calc-esp_BEEF_500441_1/Rh_CCOH_sbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCOH-sbr0/calc-esp_BEEF_500441_ens/CCOH.bee
Rh	111	CCOH	0.4	-0.83	0.11	CO	0.55	fcc	[56.0, 252.0, 368.0, 377.0, 411.0, 472.0, 586.0, 665.0, 1038.0, 1321.0, 1559.0, 3621.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCOH-sbr0/calc-esp_BEEF_500441_1/Rh_111_CCOH-sbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCOH-sbr3/calc-esp_BEEF_500441_ens/5CO-hcp+CCOH-sbr3.bee
Rh	111	CCOO	-0.05	-0.88	0.11	CO	0.55	fcc	[137.0, 177.0, 276.0, 302.0, 385.0, 458.0, 543.0, 676.0, 724.0, 911.0, 1069.0, 1693.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCOO-hcp/calc-esp_BEEF_500441_1/Rh_111_CCOO-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCOO-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CCOO-hcp.bee
Rh	111	CCOO	-1.17	-0.13	0.11	None	0.00	fcc	[137.0, 177.0, 276.0, 302.0, 385.0, 458.0, 543.0, 676.0, 724.0, 911.0, 1069.0, 1693.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCOO-hcp/calc-esp_BEEF_500441_1/Rh_CCOO-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCOO-hcp/calc-esp_BEEF_500441_ens/CCOO.bee
Rh	111	CCOOH	-1.14	-1.0	0.11	CO	0.55	fcc	[56.0, 75.0, 171.0, 259.0, 336.0, 394.0, 573.0, 596.0, 622.0, 733.0, 934.0, 1109.0, 1317.0, 1657.0, 3641.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CCOOH-hcp/calc-esp_BEEF_500441_1/Rh_111_CCOOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CCOOH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CCOOH-hcp.bee
Rh	111	CCOOH	-1.73	-0.19	0.11	None	0.00	fcc	[56.0, 75.0, 171.0, 259.0, 336.0, 394.0, 573.0, 596.0, 622.0, 733.0, 934.0, 1109.0, 1317.0, 1657.0, 3641.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CCOOH-hcp1/calc-esp_BEEF_500441_1/Rh_111_CCOOH-hcp1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CCOOH-hcp1/calc-esp_BEEF_500441_ens/CCOOH.bee
Rh	111	CH	-0.23	-0.9	0.11	CO	0.55	fcc	[413.0, 437.0, 487.0, 710.0, 735.0, 3045.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH-fcc/calc-esp_BEEF_500441_1/Rh_111_CH-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH-fcc/calc-esp_BEEF_500441_ens/5CO-hcp+CH-fcc.bee
Rh	111	CH	-0.33	-0.74	0.11	CO	0.44	fcc	[413.0, 437.0, 487.0, 710.0, 735.0, 3045.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CH-fcc/calc-esp_BEEF_500441_1/CH_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CH-fcc/calc-esp_BEEF_500441_ens/4CO-hcp+CH-fcc.bee
Rh	111	CH	-0.56	-0.06	0.11	None	0.00	fcc	[413.0, 437.0, 487.0, 710.0, 735.0, 3045.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH-hcp/calc-esp_BEEF_500441_1/Rh_CH_hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH-hcp/calc-esp_BEEF_500441_ens/CH.bee
Rh	111	CH-CO	-0.14	-0.72	0.11	CO	0.44	fcc	[56.0, 56.0, 150.0, 347.0, 373.0, 460.0, 580.0, 767.0, 961.0, 1607.0, 3001.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	CH-CO	-0.86	-0.1	0.11	None	0.00	fcc	[56.0, 56.0, 150.0, 347.0, 373.0, 460.0, 580.0, 767.0, 961.0, 1607.0, 3001.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH-CO	0.14	-0.86	0.11	CO	0.55	fcc	[56.0, 56.0, 150.0, 347.0, 373.0, 460.0, 580.0, 767.0, 961.0, 1607.0, 3001.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#CH@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH-H	0.15	0.02	0.11	None	0.00	fcc	[270.0, 369.0, 382.0, 566.0, 681.0, 955.0, 1998.0, 3025.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH-H	0.6	-0.64	0.11	CO	0.44	fcc	[270.0, 369.0, 382.0, 566.0, 681.0, 955.0, 1998.0, 3025.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	CH-H	0.92	-0.77	0.11	CO	0.55	fcc	[270.0, 369.0, 382.0, 566.0, 681.0, 955.0, 1998.0, 3025.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#CH@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH-OH	0.45	0.05	0.11	None	0.00	fcc	[194.0, 314.0, 411.0, 461.0, 643.0, 671.0, 723.0, 755.0, 849.0, 3162.0, 3676.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH@OH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH-OH	0.75	-0.63	0.11	CO	0.44	fcc	[194.0, 314.0, 411.0, 461.0, 643.0, 671.0, 723.0, 755.0, 849.0, 3162.0, 3676.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	CH-OH	0.98	-0.76	0.11	CO	0.55	fcc	[194.0, 314.0, 411.0, 461.0, 643.0, 671.0, 723.0, 755.0, 849.0, 3162.0, 3676.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#CH@OH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH2	-0.07	-0.01	0.11	None	0.00	fcc	[56.0, 306.0, 382.0, 468.0, 663.0, 790.0, 1356.0, 2737.0, 3004.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2-fcc/calc-esp_BEEF_500441_1/Rh_CH2_fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2-fcc/calc-esp_BEEF_500441_ens/CH2.bee
Rh	111	CH2	0.07	-0.7	0.11	CO	0.44	fcc	[56.0, 306.0, 382.0, 468.0, 663.0, 790.0, 1356.0, 2737.0, 3004.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CH2-fcc/calc-esp_BEEF_500441_1/CH2_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CH2-fcc/calc-esp_BEEF_500441_ens/4CO-hcp+CH2-fcc.bee
Rh	111	CH2	0.19	-0.85	0.11	CO	0.55	fcc	[56.0, 306.0, 382.0, 468.0, 663.0, 790.0, 1356.0, 2737.0, 3004.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2-fcc/calc-esp_BEEF_500441_1/Rh_111_CH2-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2-fcc/calc-esp_BEEF_500441_ens/5CO-hcp+CH2-fcc.bee
Rh	111	CH2-CHO	-0.08	-0.01	0.11	None	0.00	fcc	[122.0, 157.0, 258.0, 288.0, 402.0, 440.0, 533.0, 586.0, 778.0, 799.0, 925.0, 1202.0, 1303.0, 1378.0, 2820.0, 2925.0, 2979.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH2@CHO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH2-CO	-0.67	-0.07	0.11	None	0.00	fcc	[101.0, 133.0, 226.0, 307.0, 399.0, 448.0, 580.0, 662.0, 888.0, 979.0, 1319.0, 1869.0, 2995.0, 3047.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH2@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH2-CO	0.31	-0.84	0.11	CO	0.55	fcc	[101.0, 133.0, 226.0, 307.0, 399.0, 448.0, 580.0, 662.0, 888.0, 979.0, 1319.0, 1869.0, 2995.0, 3047.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#CH2@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH2-COH	0.43	0.05	0.11	None	0.00	fcc	[56.0, 69.0, 159.0, 297.0, 386.0, 469.0, 477.0, 552.0, 586.0, 742.0, 879.0, 1157.0, 1265.0, 1337.0, 2743.0, 3020.0, 3567.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH2@COH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH2-O	0.99	0.11	0.11	None	0.00	fcc	[147.0, 226.0, 323.0, 438.0, 486.0, 602.0, 694.0, 895.0, 1320.0, 3081.0, 3133.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH2@O-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH2-OH	0.74	0.08	0.11	None	0.00	fcc	[56.0, 73.0, 146.0, 156.0, 458.0, 532.0, 659.0, 696.0, 835.0, 854.0, 1378.0, 3004.0, 3096.0, 3656.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH2@OH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH2CH2O	-0.42	-0.05	0.11	None	0.00	fcc	[56.0, 122.0, 181.0, 295.0, 374.0, 461.0, 479.0, 652.0, 869.0, 883.0, 992.0, 1041.0, 1107.0, 1195.0, 1290.0, 1390.0, 1430.0, 2731.0, 2852.0, 2958.0, 3010.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2CH2O-sot2/calc-esp_BEEF_500441_1/Rh_CH2CH2O_sot2.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2CH2O-sot2/calc-esp_BEEF_500441_ens/CH2CH2O.bee
Rh	111	CH2CH2O	0.69	-0.79	0.11	CO	0.55	fcc	[56.0, 122.0, 181.0, 295.0, 374.0, 461.0, 479.0, 652.0, 869.0, 883.0, 992.0, 1041.0, 1107.0, 1195.0, 1290.0, 1390.0, 1430.0, 2731.0, 2852.0, 2958.0, 3010.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2CH2O-br/calc-esp_BEEF_500441_1/Rh_111_CH2CH2O-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2CH2O-sot2/calc-esp_BEEF_500441_ens/5CO-hcp+CH2CH2O-sot2.bee
Rh	111	CH2CH2OH	-0.09	-0.88	0.11	CO	0.55	fcc	[56.0, 133.0, 156.0, 229.0, 275.0, 353.0, 538.0, 596.0, 650.0, 849.0, 861.0, 1025.0, 1085.0, 1147.0, 1233.0, 1290.0, 1393.0, 1423.0, 1547.0, 2925.0, 2967.0, 3022.0, 3060.0, 3700.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2CH2OH-sot0/calc-esp_BEEF_500441_1/Rh_111_CH2CH2OH-sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2CH2OH-sot0/calc-esp_BEEF_500441_ens/5CO-hcp+CH2CH2OH-sot0.bee
Rh	111	CH2CH2OH	-0.82	-0.09	0.11	None	0.00	fcc	[56.0, 133.0, 156.0, 229.0, 275.0, 353.0, 538.0, 596.0, 650.0, 849.0, 861.0, 1025.0, 1085.0, 1147.0, 1233.0, 1290.0, 1393.0, 1423.0, 1547.0, 2925.0, 2967.0, 3022.0, 3060.0, 3700.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2CH2OH-sot0/calc-esp_BEEF_500441_1/Rh_CH2CH2OH_sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2CH2OH-sot0/calc-esp_BEEF_500441_ens/CH2CH2OH.bee
Rh	111	CH2CHO	-0.49	-0.93	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 261.0, 332.0, 423.0, 482.0, 723.0, 859.0, 891.0, 958.0, 1140.0, 1215.0, 1365.0, 1451.0, 3009.0, 3079.0, 3093.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2CHO-br1/calc-esp_BEEF_500441_1/Rh_111_CH2CHO-br1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2CHO-fcc/calc-esp_BEEF_500441_ens/5CO-hcp+CH2CHO-fcc.bee
Rh	111	CH2CHO	-1.11	-0.12	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 261.0, 332.0, 423.0, 482.0, 723.0, 859.0, 891.0, 958.0, 1140.0, 1215.0, 1365.0, 1451.0, 3009.0, 3079.0, 3093.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2CHO-br1/calc-esp_BEEF_500441_1/Rh_CH2CHO-br1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2CHO-br1/calc-esp_BEEF_500441_ens/CH2CHO.bee
Rh	111	CH2CHOH	-0.41	-0.92	0.11	CO	0.55	fcc	[56.0, 56.0, 88.0, 159.0, 181.0, 337.0, 445.0, 521.0, 730.0, 842.0, 933.0, 989.0, 1104.0, 1331.0, 1403.0, 1436.0, 1616.0, 3130.0, 3164.0, 3222.0, 3674.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2CHOH-s2br0/calc-esp_BEEF_500441_1/Rh_111_CH2CHOH-s2br0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2CHOH-s2br0/calc-esp_BEEF_500441_ens/5CO-hcp+CH2CHOH-s2br0.bee
Rh	111	CH2CHOH	-0.46	-0.05	0.11	None	0.00	fcc	[56.0, 56.0, 88.0, 159.0, 181.0, 337.0, 445.0, 521.0, 730.0, 842.0, 933.0, 989.0, 1104.0, 1331.0, 1403.0, 1436.0, 1616.0, 3130.0, 3164.0, 3222.0, 3674.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2CHOH-s2br0/calc-esp_BEEF_500441_1/Rh_CH2CHOH_s2br0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2CHOH-s2br0/calc-esp_BEEF_500441_ens/CH2CHOH.bee
Rh	111	CH2CHOO	-0.43	-0.92	0.11	CO	0.55	fcc	[56.0, 56.0, 90.0, 142.0, 196.0, 241.0, 382.0, 390.0, 640.0, 787.0, 861.0, 1038.0, 1105.0, 1206.0, 1295.0, 1349.0, 1401.0, 1624.0, 2666.0, 2889.0, 2898.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2CHOO-br/calc-esp_BEEF_500441_1/Rh_111_CH2CHOO-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2CHOO-br/calc-esp_BEEF_500441_ens/5CO-hcp+CH2CHOO-br.bee
Rh	111	CH2CHOO	-0.55	-0.06	0.11	None	0.00	fcc	[56.0, 56.0, 90.0, 142.0, 196.0, 241.0, 382.0, 390.0, 640.0, 787.0, 861.0, 1038.0, 1105.0, 1206.0, 1295.0, 1349.0, 1401.0, 1624.0, 2666.0, 2889.0, 2898.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2CHOO-br/calc-esp_BEEF_500441_1/Rh_CH2CHOO-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2CHOO-br/calc-esp_BEEF_500441_ens/CH2CHOO.bee
Rh	111	CH2CHOOH	-0.72	-0.08	0.11	None	0.00	fcc	[56.0, 56.0, 73.0, 217.0, 236.0, 314.0, 447.0, 542.0, 585.0, 613.0, 707.0, 807.0, 939.0, 992.0, 1042.0, 1108.0, 1228.0, 1307.0, 1382.0, 1411.0, 2929.0, 2972.0, 3029.0, 3688.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2CHOOH-hcp/calc-esp_BEEF_500441_1/Rh_CH2CHOOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2CHOOH-hcp/calc-esp_BEEF_500441_ens/CH2CHOOH.bee
Rh	111	CH2CHOOH	0.45	-0.82	0.11	CO	0.55	fcc	[56.0, 56.0, 73.0, 217.0, 236.0, 314.0, 447.0, 542.0, 585.0, 613.0, 707.0, 807.0, 939.0, 992.0, 1042.0, 1108.0, 1228.0, 1307.0, 1382.0, 1411.0, 2929.0, 2972.0, 3029.0, 3688.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2CHOOH-hcp/calc-esp_BEEF_500441_1/Rh_111_CH2CHOOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2CHOOH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CH2CHOOH-hcp.bee
Rh	111	CH2CO	-0.62	-0.94	0.11	CO	0.55	fcc	[56.0, 142.0, 169.0, 291.0, 350.0, 435.0, 565.0, 621.0, 871.0, 930.0, 1035.0, 1295.0, 1674.0, 2998.0, 3071.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2CO-fbr0/calc-esp_BEEF_500441_1/Rh_111_CH2CO-fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2CO-fbr0/calc-esp_BEEF_500441_ens/5CO-hcp+CH2CO-fbr0.bee
Rh	111	CH2CO	-0.8	-0.8	0.11	CO	0.44	fcc	[56.0, 142.0, 169.0, 291.0, 350.0, 435.0, 565.0, 621.0, 871.0, 930.0, 1035.0, 1295.0, 1674.0, 2998.0, 3071.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CH2CO-fbr0/calc-esp_BEEF_500441_1/Rh_111_CH2CO-fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CH2CO-fbr0/calc-esp_BEEF_500441_ens/4CO-hcp+CH2CO-fbr0.bee
Rh	111	CH2CO	-1.13	-0.13	0.11	None	0.00	fcc	[56.0, 142.0, 169.0, 291.0, 350.0, 435.0, 565.0, 621.0, 871.0, 930.0, 1035.0, 1295.0, 1674.0, 2998.0, 3071.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2CO-fbr0/calc-esp_BEEF_500441_1/Rh_CH2CO_fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2CO-fbr0/calc-esp_BEEF_500441_ens/CH2CO.bee
Rh	111	CH2COH	-0.38	-0.91	0.11	CO	0.55	fcc	[56.0, 95.0, 159.0, 253.0, 377.0, 429.0, 541.0, 631.0, 753.0, 961.0, 986.0, 1090.0, 1265.0, 1332.0, 1472.0, 3033.0, 3058.0, 3564.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2COH-sot0/calc-esp_BEEF_500441_1/Rh_111_CH2COH-sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2COH-sot0/calc-esp_BEEF_500441_ens/5CO-hcp+CH2COH-sot0.bee
Rh	111	CH2COH	-0.86	-0.1	0.11	None	0.00	fcc	[56.0, 95.0, 159.0, 253.0, 377.0, 429.0, 541.0, 631.0, 753.0, 961.0, 986.0, 1090.0, 1265.0, 1332.0, 1472.0, 3033.0, 3058.0, 3564.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2COH-sot0/calc-esp_BEEF_500441_1/Rh_CH2COH_sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2COH-sot0/calc-esp_BEEF_500441_ens/CH2COH.bee
Rh	111	CH2COO	-1.66	-0.18	0.11	None	0.00	fcc	[77.0, 155.0, 173.0, 307.0, 344.0, 401.0, 484.0, 597.0, 703.0, 714.0, 893.0, 957.0, 990.0, 1245.0, 1271.0, 1431.0, 3100.0, 3102.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2COO-br/calc-esp_BEEF_500441_1/Rh_CH2COO-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2COO-br/calc-esp_BEEF_500441_ens/CH2COO.bee
Rh	111	CH2COO	0.24	-0.84	0.11	CO	0.55	fcc	[77.0, 155.0, 173.0, 307.0, 344.0, 401.0, 484.0, 597.0, 703.0, 714.0, 893.0, 957.0, 990.0, 1245.0, 1271.0, 1431.0, 3100.0, 3102.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2COO-fcc1/calc-esp_BEEF_500441_1/Rh_111_CH2COO-fcc1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2COO-br/calc-esp_BEEF_500441_ens/5CO-hcp+CH2COO-br.bee
Rh	111	CH2COOH	-1.36	-1.02	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 163.0, 275.0, 302.0, 394.0, 531.0, 587.0, 720.0, 734.0, 894.0, 914.0, 1028.0, 1209.0, 1342.0, 1428.0, 1513.0, 3029.0, 3071.0, 3646.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2COOH-hcp/calc-esp_BEEF_500441_1/Rh_111_CH2COOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2COOH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CH2COOH-hcp.bee
Rh	111	CH2COOH	-1.72	-0.19	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 163.0, 275.0, 302.0, 394.0, 531.0, 587.0, 720.0, 734.0, 894.0, 914.0, 1028.0, 1209.0, 1342.0, 1428.0, 1513.0, 3029.0, 3071.0, 3646.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2COOH-hcp/calc-esp_BEEF_500441_1/Rh_CH2COOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2COOH-hcp/calc-esp_BEEF_500441_ens/CH2COOH.bee
Rh	111	CH2O	-0.19	-0.02	0.11	None	0.00	fcc	[56.0, 65.0, 231.0, 407.0, 480.0, 580.0, 965.0, 1163.0, 1225.0, 1430.0, 2918.0, 2987.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2O-fcc/calc-esp_BEEF_500441_1/Rh_CH2O_fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2O-fcc/calc-esp_BEEF_500441_ens/CH2O.bee
Rh	111	CH2O	0.22	-0.85	0.11	CO	0.55	fcc	[56.0, 65.0, 231.0, 407.0, 480.0, 580.0, 965.0, 1163.0, 1225.0, 1430.0, 2918.0, 2987.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2O-bridge/calc-esp_BEEF_500441_1/Rh_111_CH2O-bridge.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2O-bridge/calc-esp_BEEF_500441_ens/5CO-hcp+CH2O-bridge.bee
Rh	111	CH2OCH	0.35	0.04	0.11	None	0.00	fcc	[56.0, 56.0, 156.0, 254.0, 298.0, 443.0, 565.0, 769.0, 865.0, 998.0, 1103.0, 1126.0, 1179.0, 1229.0, 1460.0, 2987.0, 3062.0, 3083.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2OCH-br/calc-esp_BEEF_500441_1/Rh_CH2OCH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2OCH-br/calc-esp_BEEF_500441_ens/CH2OCH.bee
Rh	111	CH2OCH2	0.38	0.04	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 56.0, 56.0, 225.0, 759.0, 815.0, 847.0, 977.0, 1089.0, 1128.0, 1136.0, 1149.0, 1276.0, 1457.0, 1503.0, 3032.0, 3088.0, 3100.0, 3125.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2OCH2-hcp/calc-esp_BEEF_500441_1/Rh_CH2OCH2-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2OCH2-hcp/calc-esp_BEEF_500441_ens/CH2OCH2.bee
Rh	111	CH2OH	-0.25	-0.03	0.11	None	0.00	fcc	[56.0, 77.0, 245.0, 285.0, 344.0, 520.0, 779.0, 919.0, 1087.0, 1157.0, 1316.0, 1476.0, 3060.0, 3071.0, 3630.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2OH-bridge/calc-esp_BEEF_500441_1/Rh_CH2OH_bridge.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2OH-bridge/calc-esp_BEEF_500441_ens/CH2OH.bee
Rh	111	CH2OH	0.16	-0.85	0.11	CO	0.55	fcc	[56.0, 77.0, 245.0, 285.0, 344.0, 520.0, 779.0, 919.0, 1087.0, 1157.0, 1316.0, 1476.0, 3060.0, 3071.0, 3630.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2OH-bridge/calc-esp_BEEF_500441_1/Rh_111_CH2OH-bridge.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2OH-ontop1/calc-esp_BEEF_500441_ens/5CO-hcp+CH2OH-ontop1.bee
Rh	111	CH2OO	-0.25	-0.03	0.11	None	0.00	fcc	[56.0, 56.0, 231.0, 299.0, 404.0, 412.0, 610.0, 832.0, 1007.0, 1047.0, 1165.0, 1311.0, 1404.0, 2860.0, 2948.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2OO-br/calc-esp_BEEF_500441_1/Rh_CH2OO-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2OO-br/calc-esp_BEEF_500441_ens/CH2OO.bee
Rh	111	CH2OO	0.9	-0.77	0.11	CO	0.55	fcc	[56.0, 56.0, 231.0, 299.0, 404.0, 412.0, 610.0, 832.0, 1007.0, 1047.0, 1165.0, 1311.0, 1404.0, 2860.0, 2948.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH2OO-br/calc-esp_BEEF_500441_1/Rh_111_CH2OO-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH2OO-br/calc-esp_BEEF_500441_ens/5CO-hcp+CH2OO-br.bee
Rh	111	CH2OOH	-0.31	-0.03	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 211.0, 255.0, 335.0, 477.0, 606.0, 898.0, 1002.0, 1056.0, 1202.0, 1355.0, 1415.0, 1470.0, 2932.0, 3023.0, 3665.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH2OOH-hcp/calc-esp_BEEF_500441_1/Rh_CH2OOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH2OOH-hcp/calc-esp_BEEF_500441_ens/CH2OOH.bee
Rh	111	CH3	-0.07	-0.72	0.11	CO	0.44	fcc	[56.0, 114.0, 168.0, 622.0, 686.0, 703.0, 1382.0, 1417.0, 1576.0, 3026.0, 3093.0, 3099.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CH3-ontop/calc-esp_BEEF_500441_1/CH3_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CH3-ontop/calc-esp_BEEF_500441_ens/4CO-hcp+CH3-ontop.bee
Rh	111	CH3	-0.23	-0.03	0.11	None	0.00	fcc	[56.0, 114.0, 168.0, 622.0, 686.0, 703.0, 1382.0, 1417.0, 1576.0, 3026.0, 3093.0, 3099.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3-ontop/calc-esp_BEEF_500441_1/Rh_CH3_ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3-ontop/calc-esp_BEEF_500441_ens/CH3.bee
Rh	111	CH3	0.61	-0.8	0.11	CO	0.55	fcc	[56.0, 114.0, 168.0, 622.0, 686.0, 703.0, 1382.0, 1417.0, 1576.0, 3026.0, 3093.0, 3099.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3-ontop/calc-esp_BEEF_500441_1/Rh_111_CH3-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+CH3-ontop.bee
Rh	111	CH3-CO	-0.4	-0.04	0.11	None	0.00	fcc	[56.0, 56.0, 146.0, 177.0, 297.0, 352.0, 440.0, 495.0, 803.0, 817.0, 1185.0, 1397.0, 1417.0, 1824.0, 2951.0, 3075.0, 3144.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH3@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3-CO	0.24	-0.84	0.11	CO	0.55	fcc	[56.0, 56.0, 146.0, 177.0, 297.0, 352.0, 440.0, 495.0, 803.0, 817.0, 1185.0, 1397.0, 1417.0, 1824.0, 2951.0, 3075.0, 3144.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#CH3@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3-O	1.14	0.13	0.11	None	0.00	fcc	[56.0, 56.0, 122.0, 197.0, 301.0, 413.0, 678.0, 741.0, 1133.0, 1387.0, 1410.0, 3085.0, 3128.0, 3209.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH3@O-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3CH2O	-0.56	-0.93	0.11	CO	0.55	fcc	[56.0, 72.0, 152.0, 199.0, 231.0, 270.0, 442.0, 553.0, 751.0, 875.0, 957.0, 1092.0, 1151.0, 1255.0, 1299.0, 1432.0, 1461.0, 1479.0, 1712.0, 2896.0, 3012.0, 3049.0, 3064.0, 3088.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3CH2O-sot0/calc-esp_BEEF_500441_1/Rh_111_CH3CH2O-sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3CH2O-sot0/calc-esp_BEEF_500441_ens/5CO-hcp+CH3CH2O-sot0.bee
Rh	111	CH3CH2O	-1.0	-0.11	0.11	None	0.00	fcc	[56.0, 72.0, 152.0, 199.0, 231.0, 270.0, 442.0, 553.0, 751.0, 875.0, 957.0, 1092.0, 1151.0, 1255.0, 1299.0, 1432.0, 1461.0, 1479.0, 1712.0, 2896.0, 3012.0, 3049.0, 3064.0, 3088.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3CH2O-sot0/calc-esp_BEEF_500441_1/Rh_CH3CH2O_sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3CH2O-sot0/calc-esp_BEEF_500441_ens/CH3CH2O.bee
Rh	111	CH3CH2O-H	0.02	0.0	0.11	None	0.00	fcc	[56.0, 56.0, 98.0, 160.0, 242.0, 323.0, 360.0, 516.0, 550.0, 812.0, 841.0, 990.0, 1010.0, 1123.0, 1153.0, 1253.0, 1330.0, 1374.0, 1454.0, 1457.0, 1615.0, 2937.0, 2979.0, 3012.0, 3022.0, 3120.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH3CH2O@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3CH2O-H	0.55	-0.81	0.11	CO	0.55	fcc	[56.0, 56.0, 98.0, 160.0, 242.0, 323.0, 360.0, 516.0, 550.0, 812.0, 841.0, 990.0, 1010.0, 1123.0, 1153.0, 1253.0, 1330.0, 1374.0, 1454.0, 1457.0, 1615.0, 2937.0, 2979.0, 3012.0, 3022.0, 3120.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#CH3CH2O@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3CH2OH	-1.13	-0.13	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 56.0, 56.0, 255.0, 324.0, 421.0, 479.0, 732.0, 867.0, 1009.0, 1087.0, 1136.0, 1254.0, 1264.0, 1394.0, 1419.0, 1432.0, 1462.0, 1491.0, 2887.0, 2966.0, 2984.0, 3029.0, 3146.0, 3726.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3CH2OH-br/calc-esp_BEEF_500441_1/Rh_CH3OH_br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3CH2OH-br/calc-esp_BEEF_500441_ens/CH3CH2OH.bee
Rh	111	CH3CH2OH	-1.22	-1.01	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 56.0, 56.0, 255.0, 324.0, 421.0, 479.0, 732.0, 867.0, 1009.0, 1087.0, 1136.0, 1254.0, 1264.0, 1394.0, 1419.0, 1432.0, 1462.0, 1491.0, 2887.0, 2966.0, 2984.0, 3029.0, 3146.0, 3726.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3CH2OH-br/calc-esp_BEEF_500441_1/Rh_111_CH3CH2OH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3CH2OH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+CH3CH2OH-ontop.bee
Rh	111	CH3CH2OH	-1.24	-0.85	0.11	CO	0.44	fcc	[56.0, 56.0, 56.0, 56.0, 56.0, 255.0, 324.0, 421.0, 479.0, 732.0, 867.0, 1009.0, 1087.0, 1136.0, 1254.0, 1264.0, 1394.0, 1419.0, 1432.0, 1462.0, 1491.0, 2887.0, 2966.0, 2984.0, 3029.0, 3146.0, 3726.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CH3CH2OH-br/calc-esp_BEEF_500441_1/CH3CH2OH_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CH3CH2OH-br/calc-esp_BEEF_500441_ens/4CO-hcp+CH3CH2OH-br.bee
Rh	111	CH3CHO	-0.99	-0.11	0.11	None	0.00	fcc	[56.0, 61.0, 93.0, 134.0, 227.0, 361.0, 430.0, 516.0, 737.0, 928.0, 1037.0, 1062.0, 1128.0, 1287.0, 1321.0, 1408.0, 1443.0, 2933.0, 2974.0, 3000.0, 3063.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3CHO-fcc2/calc-esp_BEEF_500441_1/Rh_111_CH3CHO-fcc2.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3CHO-fcc2/calc-esp_BEEF_500441_ens/CH3CHO.bee
Rh	111	CH3CHO	-1.02	-0.98	0.11	CO	0.55	fcc	[56.0, 61.0, 93.0, 134.0, 227.0, 361.0, 430.0, 516.0, 737.0, 928.0, 1037.0, 1062.0, 1128.0, 1287.0, 1321.0, 1408.0, 1443.0, 2933.0, 2974.0, 3000.0, 3063.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3CHO-fcc2/calc-esp_BEEF_500441_1/Rh_111_CH3CHO-fcc2.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3CHO-sot0/calc-esp_BEEF_500441_ens/5CO-hcp+CH3CHO-sot0.bee
Rh	111	CH3CHO	-1.47	-0.87	0.11	CO	0.44	fcc	[56.0, 61.0, 93.0, 134.0, 227.0, 361.0, 430.0, 516.0, 737.0, 928.0, 1037.0, 1062.0, 1128.0, 1287.0, 1321.0, 1408.0, 1443.0, 2933.0, 2974.0, 3000.0, 3063.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CH3CHO-fcc2/calc-esp_BEEF_500441_1/CH3CHO_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CH3CHO-fcc2/calc-esp_BEEF_500441_ens/4CO-hcp+CH3CHO-fcc2.bee
Rh	111	CH3CHO-H	-0.03	0.0	0.11	None	0.00	fcc	[56.0, 56.0, 123.0, 183.0, 208.0, 232.0, 385.0, 511.0, 578.0, 810.0, 900.0, 999.0, 1054.0, 1084.0, 1129.0, 1316.0, 1335.0, 1424.0, 1453.0, 2906.0, 2945.0, 2984.0, 3054.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH3CHO@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3CHO-H	-0.09	-0.72	0.11	CO	0.44	fcc	[56.0, 56.0, 123.0, 183.0, 208.0, 232.0, 385.0, 511.0, 578.0, 810.0, 900.0, 999.0, 1054.0, 1084.0, 1129.0, 1316.0, 1335.0, 1424.0, 1453.0, 2906.0, 2945.0, 2984.0, 3054.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	CH3CHO-H	-0.15	-0.89	0.11	CO	0.55	fcc	[56.0, 56.0, 123.0, 183.0, 208.0, 232.0, 385.0, 511.0, 578.0, 810.0, 900.0, 999.0, 1054.0, 1084.0, 1129.0, 1316.0, 1335.0, 1424.0, 1453.0, 2906.0, 2945.0, 2984.0, 3054.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#CH3CHO@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3CHOH	-0.82	-0.96	0.11	CO	0.55	fcc	[56.0, 71.0, 162.0, 228.0, 268.0, 318.0, 446.0, 541.0, 664.0, 773.0, 890.0, 1022.0, 1089.0, 1141.0, 1236.0, 1347.0, 1375.0, 1462.0, 1489.0, 2927.0, 2973.0, 3024.0, 3060.0, 3629.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3CHOH-hcp/calc-esp_BEEF_500441_1/Rh_111_CH3CHOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3CHOH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CH3CHOH-hcp.bee
Rh	111	CH3CHOH	-0.86	-0.1	0.11	None	0.00	fcc	[56.0, 71.0, 162.0, 228.0, 268.0, 318.0, 446.0, 541.0, 664.0, 773.0, 890.0, 1022.0, 1089.0, 1141.0, 1236.0, 1347.0, 1375.0, 1462.0, 1489.0, 2927.0, 2973.0, 3024.0, 3060.0, 3629.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3CHOH-br/calc-esp_BEEF_500441_1/Rh_CH3CHOH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3CHOH-br/calc-esp_BEEF_500441_ens/CH3CHOH.bee
Rh	111	CH3CHOH	-0.93	-0.81	0.11	CO	0.44	fcc	[56.0, 71.0, 162.0, 228.0, 268.0, 318.0, 446.0, 541.0, 664.0, 773.0, 890.0, 1022.0, 1089.0, 1141.0, 1236.0, 1347.0, 1375.0, 1462.0, 1489.0, 2927.0, 2973.0, 3024.0, 3060.0, 3629.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CH3CHOH-hcp/calc-esp_BEEF_500441_1/CH3CHOH_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CH3CHOH-hcp/calc-esp_BEEF_500441_ens/4CO-hcp+CH3CHOH-hcp.bee
Rh	111	CH3CHOH-H	-0.11	-0.88	0.11	CO	0.55	fcc	[56.0, 56.0, 108.0, 137.0, 183.0, 249.0, 400.0, 460.0, 516.0, 598.0, 820.0, 924.0, 1014.0, 1096.0, 1167.0, 1240.0, 1354.0, 1385.0, 1436.0, 1485.0, 1652.0, 2967.0, 3012.0, 3039.0, 3102.0, 3525.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#CH3CHOH@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3CHOH-H	-0.18	-0.02	0.11	None	0.00	fcc	[56.0, 56.0, 108.0, 137.0, 183.0, 249.0, 400.0, 460.0, 516.0, 598.0, 820.0, 924.0, 1014.0, 1096.0, 1167.0, 1240.0, 1354.0, 1385.0, 1436.0, 1485.0, 1652.0, 2967.0, 3012.0, 3039.0, 3102.0, 3525.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH3CHOH@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3CHOH-H	-0.22	-0.73	0.11	CO	0.44	fcc	[56.0, 56.0, 108.0, 137.0, 183.0, 249.0, 400.0, 460.0, 516.0, 598.0, 820.0, 924.0, 1014.0, 1096.0, 1167.0, 1240.0, 1354.0, 1385.0, 1436.0, 1485.0, 1652.0, 2967.0, 3012.0, 3039.0, 3102.0, 3525.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	CH3CHOO	-1.05	-0.12	0.11	None	0.00	fcc	[56.0, 56.0, 82.0, 203.0, 214.0, 315.0, 337.0, 508.0, 540.0, 615.0, 740.0, 886.0, 1006.0, 1061.0, 1093.0, 1238.0, 1290.0, 1361.0, 1438.0, 1444.0, 2865.0, 3005.0, 3015.0, 3089.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3CHOO-hcp/calc-esp_BEEF_500441_1/Rh_CH3CHOO-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3CHOO-hcp/calc-esp_BEEF_500441_ens/CH3CHOO.bee
Rh	111	CH3CHOO	0.24	-0.84	0.11	CO	0.55	fcc	[56.0, 56.0, 82.0, 203.0, 214.0, 315.0, 337.0, 508.0, 540.0, 615.0, 740.0, 886.0, 1006.0, 1061.0, 1093.0, 1238.0, 1290.0, 1361.0, 1438.0, 1444.0, 2865.0, 3005.0, 3015.0, 3089.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3CHOO-fcc/calc-esp_BEEF_500441_1/Rh_111_CH3CHOO-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3CHOO-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CH3CHOO-hcp.bee
Rh	111	CH3CHOOH	-0.63	-0.94	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 154.0, 205.0, 260.0, 299.0, 422.0, 525.0, 611.0, 678.0, 772.0, 880.0, 1028.0, 1067.0, 1078.0, 1257.0, 1290.0, 1352.0, 1372.0, 1455.0, 1461.0, 2971.0, 2994.0, 3042.0, 3137.0, 3642.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3CHOOH-hcp1/calc-esp_BEEF_500441_1/Rh_111_CH3CHOOH-hcp1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3CHOOH-hcp1/calc-esp_BEEF_500441_ens/5CO-hcp+CH3CHOOH-hcp1.bee
Rh	111	CH3CHOOH	-1.31	-0.15	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 154.0, 205.0, 260.0, 299.0, 422.0, 525.0, 611.0, 678.0, 772.0, 880.0, 1028.0, 1067.0, 1078.0, 1257.0, 1290.0, 1352.0, 1372.0, 1455.0, 1461.0, 2971.0, 2994.0, 3042.0, 3137.0, 3642.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3CHOOH-hcp/calc-esp_BEEF_500441_1/Rh_CH3CHOOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3CHOOH-hcp/calc-esp_BEEF_500441_ens/CH3CHOOH.bee
Rh	111	CH3CO	-1.21	-1.0	0.11	CO	0.55	fcc	[56.0, 123.0, 156.0, 228.0, 286.0, 402.0, 469.0, 676.0, 945.0, 1012.0, 1091.0, 1407.0, 1435.0, 1454.0, 1575.0, 3053.0, 3076.0, 3126.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3CO-sot0/calc-esp_BEEF_500441_1/Rh_111_CH3CO-sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3CO-sot0/calc-esp_BEEF_500441_ens/5CO-hcp+CH3CO-sot0.bee
Rh	111	CH3CO	-1.67	-0.19	0.11	None	0.00	fcc	[56.0, 123.0, 156.0, 228.0, 286.0, 402.0, 469.0, 676.0, 945.0, 1012.0, 1091.0, 1407.0, 1435.0, 1454.0, 1575.0, 3053.0, 3076.0, 3126.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3CO-sot0/calc-esp_BEEF_500441_1/Rh_CH3CO_sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3CO-sot0/calc-esp_BEEF_500441_ens/CH3CO.bee
Rh	111	CH3CO	-1.71	-0.9	0.11	CO	0.44	fcc	[56.0, 123.0, 156.0, 228.0, 286.0, 402.0, 469.0, 676.0, 945.0, 1012.0, 1091.0, 1407.0, 1435.0, 1454.0, 1575.0, 3053.0, 3076.0, 3126.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CH3CO-sot0/calc-esp_BEEF_500441_1/CH3CO_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CH3CO-sot0/calc-esp_BEEF_500441_ens/4CO-hcp+CH3CO-sot0.bee
Rh	111	CH3CO-H	-0.55	-0.06	0.11	None	0.00	fcc	[56.0, 56.0, 115.0, 261.0, 277.0, 452.0, 464.0, 548.0, 617.0, 859.0, 962.0, 999.0, 1100.0, 1295.0, 1441.0, 1459.0, 1516.0, 2966.0, 2992.0, 3083.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CH3CO@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CH3COH	-0.61	-0.94	0.11	CO	0.55	fcc	[56.0, 85.0, 156.0, 219.0, 237.0, 457.0, 480.0, 586.0, 721.0, 968.0, 1022.0, 1053.0, 1247.0, 1307.0, 1428.0, 1445.0, 1598.0, 2999.0, 3012.0, 3075.0, 3309.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3COH-sot0/calc-esp_BEEF_500441_1/Rh_111_CH3COH-sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3COH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+CH3COH-ontop.bee
Rh	111	CH3COH	-1.12	-0.12	0.11	None	0.00	fcc	[56.0, 85.0, 156.0, 219.0, 237.0, 457.0, 480.0, 586.0, 721.0, 968.0, 1022.0, 1053.0, 1247.0, 1307.0, 1428.0, 1445.0, 1598.0, 2999.0, 3012.0, 3075.0, 3309.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3COH-sot0/calc-esp_BEEF_500441_1/Rh_CH3COH_sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3COH-sot0/calc-esp_BEEF_500441_ens/CH3COH.bee
Rh	111	CH3COO	-1.96	-1.09	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 129.0, 173.0, 296.0, 350.0, 548.0, 588.0, 673.0, 951.0, 1019.0, 1037.0, 1347.0, 1407.0, 1422.0, 1446.0, 1469.0, 2986.0, 3040.0, 3067.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3COO-fcc1/calc-esp_BEEF_500441_1/Rh_111_CH3COO-fcc1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3COO-fcc1/calc-esp_BEEF_500441_ens/5CO-hcp+CH3COO-fcc1.bee
Rh	111	CH3COO	-2.39	-0.27	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 129.0, 173.0, 296.0, 350.0, 548.0, 588.0, 673.0, 951.0, 1019.0, 1037.0, 1347.0, 1407.0, 1422.0, 1446.0, 1469.0, 2986.0, 3040.0, 3067.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3COO-fcc1/calc-esp_BEEF_500441_1/Rh_111_CH3COO-fcc1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3COO-fcc1/calc-esp_BEEF_500441_ens/CH3COO.bee
Rh	111	CH3COOH	-1.84	-0.2	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 77.0, 158.0, 173.0, 208.0, 467.0, 568.0, 578.0, 831.0, 922.0, 1015.0, 1102.0, 1226.0, 1343.0, 1393.0, 1418.0, 1528.0, 1716.0, 3029.0, 3060.0, 3137.0, 3627.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3COOH-br/calc-esp_BEEF_500441_1/Rh_CH3OH_br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3COOH-br/calc-esp_BEEF_500441_ens/CH3COOH.bee
Rh	111	CH3COOH	-2.0	-1.09	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 77.0, 158.0, 173.0, 208.0, 467.0, 568.0, 578.0, 831.0, 922.0, 1015.0, 1102.0, 1226.0, 1343.0, 1393.0, 1418.0, 1528.0, 1716.0, 3029.0, 3060.0, 3137.0, 3627.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3COOH-br1/calc-esp_BEEF_500441_1/Rh_111_CH3COOH-br1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3COOH-br/calc-esp_BEEF_500441_ens/5CO-hcp+CH3COOH-br.bee
Rh	111	CH3O	-0.16	-0.89	0.11	CO	0.55	fcc	[56.0, 113.0, 133.0, 284.0, 349.0, 520.0, 1003.0, 1143.0, 1146.0, 1420.0, 1468.0, 1753.0, 3033.0, 3054.0, 3063.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3O-fcc/calc-esp_BEEF_500441_1/Rh_111_CH3O-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3O-fcc/calc-esp_BEEF_500441_ens/5CO-hcp+CH3O-fcc.bee
Rh	111	CH3O	-0.41	-0.05	0.11	None	0.00	fcc	[56.0, 113.0, 133.0, 284.0, 349.0, 520.0, 1003.0, 1143.0, 1146.0, 1420.0, 1468.0, 1753.0, 3033.0, 3054.0, 3063.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3O-fcc/calc-esp_BEEF_500441_1/Rh_CH3O_fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3O-fcc/calc-esp_BEEF_500441_ens/CH3O.bee
Rh	111	CH3OH	-0.26	-0.9	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 152.0, 265.0, 346.0, 568.0, 953.0, 1039.0, 1144.0, 1364.0, 1402.0, 1472.0, 1578.0, 3014.0, 3036.0, 3112.0, 3675.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH3OH-fcc/calc-esp_BEEF_500441_1/Rh_111_CH3OH-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH3OH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+CH3OH-ontop.bee
Rh	111	CH3OH	-0.44	-0.05	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 152.0, 265.0, 346.0, 568.0, 953.0, 1039.0, 1144.0, 1364.0, 1402.0, 1472.0, 1578.0, 3014.0, 3036.0, 3112.0, 3675.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH3OH-ontop/calc-esp_BEEF_500441_1/Rh_CH3OH_ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH3OH-ontop/calc-esp_BEEF_500441_ens/CH3OH.bee
Rh	111	CH4	-0.58	-0.94	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 56.0, 120.0, 586.0, 1216.0, 1323.0, 1415.0, 1541.0, 1566.0, 3026.0, 3081.0, 3112.0, 3188.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CH4-fcc/calc-esp_BEEF_500441_1/Rh_111_CH4-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CH4-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+CH4-ontop.bee
Rh	111	CH4	-0.64	-0.07	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 56.0, 120.0, 586.0, 1216.0, 1323.0, 1415.0, 1541.0, 1566.0, 3026.0, 3081.0, 3112.0, 3188.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CH4-ontop/calc-esp_BEEF_500441_1/Rh_CH3OH_ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CH4-ontop/calc-esp_BEEF_500441_ens/CH4.bee
Rh	111	CHCH2O	-0.37	-0.04	0.11	None	0.00	fcc	[56.0, 56.0, 186.0, 319.0, 400.0, 483.0, 604.0, 674.0, 865.0, 881.0, 1022.0, 1143.0, 1166.0, 1280.0, 1383.0, 2778.0, 2850.0, 2937.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCH2O-br/calc-esp_BEEF_500441_1/Rh_CHCH2O-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCH2O-br/calc-esp_BEEF_500441_ens/CHCH2O.bee
Rh	111	CHCH2O	0.36	-0.83	0.11	CO	0.55	fcc	[56.0, 56.0, 186.0, 319.0, 400.0, 483.0, 604.0, 674.0, 865.0, 881.0, 1022.0, 1143.0, 1166.0, 1280.0, 1383.0, 2778.0, 2850.0, 2937.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCH2O-br/calc-esp_BEEF_500441_1/Rh_111_CHCH2O-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCH2O-fcc1/calc-esp_BEEF_500441_ens/5CO-hcp+CHCH2O-fcc1.bee
Rh	111	CHCH2OH	-0.02	-0.87	0.11	CO	0.55	fcc	[56.0, 164.0, 229.0, 259.0, 348.0, 412.0, 563.0, 632.0, 800.0, 899.0, 915.0, 1025.0, 1177.0, 1231.0, 1332.0, 1387.0, 1506.0, 2908.0, 2975.0, 3013.0, 3596.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCH2OH-sbr0/calc-esp_BEEF_500441_1/Rh_111_CHCH2OH-sbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCH2OH-sbr0/calc-esp_BEEF_500441_ens/5CO-hcp+CHCH2OH-sbr0.bee
Rh	111	CHCH2OH	-0.7	-0.08	0.11	None	0.00	fcc	[56.0, 164.0, 229.0, 259.0, 348.0, 412.0, 563.0, 632.0, 800.0, 899.0, 915.0, 1025.0, 1177.0, 1231.0, 1332.0, 1387.0, 1506.0, 2908.0, 2975.0, 3013.0, 3596.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCH2OH-sbr0/calc-esp_BEEF_500441_1/Rh_CHCH2OH_sbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCH2OH-sbr0/calc-esp_BEEF_500441_ens/CHCH2OH.bee
Rh	111	CHCHO	-0.64	-0.94	0.11	CO	0.55	fcc	[56.0, 175.0, 227.0, 314.0, 336.0, 554.0, 729.0, 786.0, 933.0, 1083.0, 1243.0, 1374.0, 1491.0, 3012.0, 3062.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCHO-s2br0/calc-esp_BEEF_500441_1/Rh_111_CHCHO-s2br0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCHO-br/calc-esp_BEEF_500441_ens/5CO-hcp+CHCHO-br.bee
Rh	111	CHCHO	-1.19	-0.13	0.11	None	0.00	fcc	[56.0, 175.0, 227.0, 314.0, 336.0, 554.0, 729.0, 786.0, 933.0, 1083.0, 1243.0, 1374.0, 1491.0, 3012.0, 3062.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCHO-s2br0/calc-esp_BEEF_500441_1/Rh_CHCHO_s2br0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCHO-s2br0/calc-esp_BEEF_500441_ens/CHCHO.bee
Rh	111	CHCHOH	-0.27	-0.9	0.11	CO	0.55	fcc	[56.0, 76.0, 203.0, 318.0, 392.0, 479.0, 532.0, 578.0, 723.0, 861.0, 894.0, 1119.0, 1189.0, 1247.0, 1422.0, 2917.0, 3054.0, 3620.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCHOH-s2br0/calc-esp_BEEF_500441_1/Rh_111_CHCHOH-s2br0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCHOH-sbr0/calc-esp_BEEF_500441_ens/5CO-hcp+CHCHOH-sbr0.bee
Rh	111	CHCHOH	-0.74	-0.08	0.11	None	0.00	fcc	[56.0, 76.0, 203.0, 318.0, 392.0, 479.0, 532.0, 578.0, 723.0, 861.0, 894.0, 1119.0, 1189.0, 1247.0, 1422.0, 2917.0, 3054.0, 3620.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCHOH-s2br0/calc-esp_BEEF_500441_1/Rh_CHCHOH_s2br0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCHOH-s2br0/calc-esp_BEEF_500441_ens/CHCHOH.bee
Rh	111	CHCHOOH	-0.49	-0.05	0.11	None	0.00	fcc	[56.0, 136.0, 219.0, 268.0, 382.0, 396.0, 537.0, 556.0, 613.0, 646.0, 732.0, 861.0, 932.0, 986.0, 1135.0, 1180.0, 1254.0, 1374.0, 2923.0, 2949.0, 3646.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCHOOH-br/calc-esp_BEEF_500441_1/Rh_CHCHOOH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCHOOH-br/calc-esp_BEEF_500441_ens/CHCHOOH.bee
Rh	111	CHCHOOH	0.3	-0.84	0.11	CO	0.55	fcc	[56.0, 136.0, 219.0, 268.0, 382.0, 396.0, 537.0, 556.0, 613.0, 646.0, 732.0, 861.0, 932.0, 986.0, 1135.0, 1180.0, 1254.0, 1374.0, 2923.0, 2949.0, 3646.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCHOOH-br/calc-esp_BEEF_500441_1/Rh_111_CHCHOOH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCHOOH-br/calc-esp_BEEF_500441_ens/5CO-hcp+CHCHOOH-br.bee
Rh	111	CHCO	-0.55	-0.93	0.11	CO	0.55	fcc	[56.0, 195.0, 261.0, 342.0, 401.0, 522.0, 572.0, 755.0, 933.0, 1090.0, 1712.0, 3004.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCO-sot0/calc-esp_BEEF_500441_1/Rh_111_CHCO-sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCO-fcc/calc-esp_BEEF_500441_ens/5CO-hcp+CHCO-fcc.bee
Rh	111	CHCO	-1.02	-0.82	0.11	CO	0.44	fcc	[56.0, 195.0, 261.0, 342.0, 401.0, 522.0, 572.0, 755.0, 933.0, 1090.0, 1712.0, 3004.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CHCO-sot0/calc-esp_BEEF_500441_1/CHCO_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CHCO-sot0/calc-esp_BEEF_500441_ens/4CO-hcp+CHCO-sot0.bee
Rh	111	CHCO	-1.31	-0.15	0.11	None	0.00	fcc	[56.0, 195.0, 261.0, 342.0, 401.0, 522.0, 572.0, 755.0, 933.0, 1090.0, 1712.0, 3004.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCO-sot0/calc-esp_BEEF_500441_1/Rh_CHCO_sot0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCO-sot0/calc-esp_BEEF_500441_ens/CHCO.bee
Rh	111	CHCOH	-0.23	-0.9	0.11	CO	0.55	fcc	[56.0, 164.0, 272.0, 353.0, 398.0, 491.0, 531.0, 632.0, 776.0, 1045.0, 1083.0, 1276.0, 1411.0, 3111.0, 3629.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCOH-fbr1/calc-esp_BEEF_500441_1/Rh_111_CHCOH-fbr1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCOH-fbr1/calc-esp_BEEF_500441_ens/5CO-hcp+CHCOH-fbr1.bee
Rh	111	CHCOH	-1.16	-0.13	0.11	None	0.00	fcc	[56.0, 164.0, 272.0, 353.0, 398.0, 491.0, 531.0, 632.0, 776.0, 1045.0, 1083.0, 1276.0, 1411.0, 3111.0, 3629.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCOH-fbr0/calc-esp_BEEF_500441_1/Rh_CHCOH_fbr0.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCOH-fbr0/calc-esp_BEEF_500441_ens/CHCOH.bee
Rh	111	CHCOO	-0.37	-0.91	0.11	CO	0.55	fcc	[152.0, 173.0, 224.0, 277.0, 315.0, 340.0, 397.0, 507.0, 611.0, 736.0, 837.0, 1024.0, 1218.0, 1512.0, 3083.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCOO-br/calc-esp_BEEF_500441_1/Rh_111_CHCOO-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCOO-hcp1/calc-esp_BEEF_500441_ens/5CO-hcp+CHCOO-hcp1.bee
Rh	111	CHCOO	-1.21	-0.13	0.11	None	0.00	fcc	[152.0, 173.0, 224.0, 277.0, 315.0, 340.0, 397.0, 507.0, 611.0, 736.0, 837.0, 1024.0, 1218.0, 1512.0, 3083.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCOO-br/calc-esp_BEEF_500441_1/Rh_CHCOO-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCOO-br/calc-esp_BEEF_500441_ens/CHCOO.bee
Rh	111	CHCOOH	-1.41	-1.03	0.11	CO	0.55	fcc	[89.0, 156.0, 200.0, 274.0, 289.0, 310.0, 585.0, 636.0, 665.0, 694.0, 771.0, 953.0, 1136.0, 1179.0, 1367.0, 1490.0, 2993.0, 3613.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHCOOH-hcp/calc-esp_BEEF_500441_1/Rh_111_CHCOOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHCOOH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CHCOOH-hcp.bee
Rh	111	CHCOOH	-1.75	-0.19	0.11	None	0.00	fcc	[89.0, 156.0, 200.0, 274.0, 289.0, 310.0, 585.0, 636.0, 665.0, 694.0, 771.0, 953.0, 1136.0, 1179.0, 1367.0, 1490.0, 2993.0, 3613.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHCOOH-hcp/calc-esp_BEEF_500441_1/Rh_CHCOOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHCOOH-hcp/calc-esp_BEEF_500441_ens/CHCOOH.bee
Rh	111	CHO	-0.19	-0.89	0.11	CO	0.55	fcc	[56.0, 72.0, 206.0, 336.0, 452.0, 660.0, 1238.0, 1262.0, 2832.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHO-hcp/calc-esp_BEEF_500441_1/Rh_111_CHO-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHO-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CHO-hcp.bee
Rh	111	CHO	-0.48	-0.76	0.11	CO	0.44	fcc	[56.0, 72.0, 206.0, 336.0, 452.0, 660.0, 1238.0, 1262.0, 2832.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CHO-hcp/calc-esp_BEEF_500441_1/CHO_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CHO-hcp/calc-esp_BEEF_500441_ens/4CO-hcp+CHO-hcp.bee
Rh	111	CHO	-0.7	-0.08	0.11	None	0.00	fcc	[56.0, 72.0, 206.0, 336.0, 452.0, 660.0, 1238.0, 1262.0, 2832.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHO-hcp/calc-esp_BEEF_500441_1/Rh_CHO_hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHO-hcp/calc-esp_BEEF_500441_ens/CHO.bee
Rh	111	CHOC	0.17	0.02	0.11	None	0.00	fcc	[195.0, 243.0, 311.0, 386.0, 438.0, 494.0, 593.0, 622.0, 731.0, 1048.0, 1182.0, 3042.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHOC-hcp/calc-esp_BEEF_500441_1/Rh_CHOC-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHOC-hcp/calc-esp_BEEF_500441_ens/CHOC.bee
Rh	111	CHOH	-0.07	-0.88	0.11	CO	0.55	fcc	[56.0, 144.0, 202.0, 314.0, 367.0, 569.0, 761.0, 1044.0, 1203.0, 1426.0, 2983.0, 3650.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CHOH-fcc/calc-esp_BEEF_500441_1/Rh_111_CHOH-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CHOH-hcp2/calc-esp_BEEF_500441_ens/5CO-hcp+CHOH-hcp2.bee
Rh	111	CHOH	-0.22	-0.02	0.11	None	0.00	fcc	[56.0, 144.0, 202.0, 314.0, 367.0, 569.0, 761.0, 1044.0, 1203.0, 1426.0, 2983.0, 3650.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CHOH-hcp2/calc-esp_BEEF_500441_1/Rh_CHOH_hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CHOH-hcp2/calc-esp_BEEF_500441_ens/CHOH.bee
Rh	111	CHOH	-0.26	-0.74	0.11	CO	0.44	fcc	[56.0, 144.0, 202.0, 314.0, 367.0, 569.0, 761.0, 1044.0, 1203.0, 1426.0, 2983.0, 3650.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#CHOH-fcc/calc-esp_BEEF_500441_1/CHOH_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#CHOH-fcc/calc-esp_BEEF_500441_ens/4CO-hcp+CHOH-fcc.bee
Rh	111	CO	-0.16	-0.89	0.66	None	0.00	fcc	[60.0, 231.0, 256.0, 303.0, 470.0, 1747.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CO-hcp/calc-esp_BEEF_500441_1/Rh_6CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CO-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+CO-hcp.bee
Rh	111	CO	-1.41	-0.71	0.44	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp/calc-esp_BEEF_500441_1/4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp/calc-esp_BEEF_500441_ens/4CO.bee
Rh	111	CO	-1.46	-0.87	0.55	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp/calc-esp_BEEF_500441_1/Rh_5CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp/calc-esp_BEEF_500441_ens/5CO.bee
Rh	111	CO	-1.61	-0.37	0.22	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#2CO-hcp/calc-esp_BEEF_500441_1/Rh_2CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#2CO-hcp/calc-esp_BEEF_500441_ens/2CO.bee
Rh	111	CO	-1.64	-0.55	0.33	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#3CO-hcp/calc-esp_BEEF_500441_1/Rh_3CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#3CO-hcp/calc-esp_BEEF_500441_ens/3CO.bee
Rh	111	CO	-1.7	-0.19	0.11	None	0.00	fcc	[60.0, 231.0, 256.0, 303.0, 470.0, 1747.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CO-hcp/calc-esp_BEEF_500441_1/Rh_CO_hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CO-hcp/calc-esp_BEEF_500441_ens/Rh_CO_hcp.bee
Rh	111	CO-H	0.27	0.03	0.11	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CO@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CO-HCO	-0.97	-0.11	0.11	None	0.00	fcc	[56.0, 132.0, 233.0, 287.0, 317.0, 356.0, 402.0, 455.0, 552.0, 864.0, 1199.0, 1249.0, 1678.0, 2924.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#CO@HCO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	CO2	-1.66	-0.18	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 202.0, 256.0, 621.0, 635.0, 1362.0, 2350.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#CO2-br/calc-esp_BEEF_500441_1/Rh_CO2_br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#CO2-br/calc-esp_BEEF_500441_ens/CO2.bee
Rh	111	CO2	-1.66	-1.06	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 202.0, 256.0, 621.0, 635.0, 1362.0, 2350.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#CO2-br/calc-esp_BEEF_500441_1/Rh_111_CO2-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#CO2-br/calc-esp_BEEF_500441_ens/5CO-hcp+CO2-br.bee
Rh	111	COC	0.96	0.11	0.11	None	0.00	fcc	[174.0, 190.0, 304.0, 342.0, 360.0, 412.0, 535.0, 602.0, 1078.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#COC-br/calc-esp_BEEF_500441_1/Rh_COC-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#COC-br/calc-esp_BEEF_500441_ens/COC.bee
Rh	111	COCH2O	0.18	0.02	0.11	None	0.00	fcc	[56.0, 73.0, 103.0, 115.0, 199.0, 257.0, 493.0, 559.0, 674.0, 943.0, 981.0, 1020.0, 1057.0, 1251.0, 1457.0, 1916.0, 3086.0, 3121.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#COCH2O-ontop/calc-esp_BEEF_500441_1/Rh_COCH2O-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#COCH2O-ontop/calc-esp_BEEF_500441_ens/COCH2O.bee
Rh	111	COH	-0.81	-0.96	0.11	CO	0.55	fcc	[56.0, 195.0, 270.0, 436.0, 459.0, 605.0, 1102.0, 1223.0, 3647.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#COH-ontop/calc-esp_BEEF_500441_1/Rh_111_COH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#COH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+COH-ontop.bee
Rh	111	COH	-0.95	-0.11	0.11	None	0.00	fcc	[56.0, 195.0, 270.0, 436.0, 459.0, 605.0, 1102.0, 1223.0, 3647.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#COH-hcp/calc-esp_BEEF_500441_1/Rh_COH_hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#COH-hcp/calc-esp_BEEF_500441_ens/COH.bee
Rh	111	COOH	-0.88	-0.97	0.11	CO	0.55	fcc	[56.0, 134.0, 236.0, 299.0, 329.0, 491.0, 617.0, 761.0, 1101.0, 1302.0, 1450.0, 3517.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#COOH-fcc1/calc-esp_BEEF_500441_1/Rh_111_COOH-fcc1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#COOH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+COOH-ontop.bee
Rh	111	COOH	-1.39	-0.15	0.11	None	0.00	fcc	[56.0, 134.0, 236.0, 299.0, 329.0, 491.0, 617.0, 761.0, 1101.0, 1302.0, 1450.0, 3517.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#COOH-ontop/calc-esp_BEEF_500441_1/Rh_COOH_ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#COOH-ontop/calc-esp_BEEF_500441_ens/COOH.bee
Rh	111	H	0.02	0.0	0.11	None	0.00	fcc	[463.0, 716.0, 982.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#H-fcc/calc-esp_BEEF_500441_1/Rh_H_fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#H-fcc/calc-esp_BEEF_500441_ens/H.bee
Rh	111	H	0.09	-0.7	0.11	CO	0.44	fcc	[463.0, 716.0, 982.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#H-fcc/calc-esp_BEEF_500441_1/H_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#H-fcc/calc-esp_BEEF_500441_ens/4CO-hcp+H-fcc.bee
Rh	111	H	0.14	-0.86	0.11	CO	0.55	fcc	[463.0, 716.0, 982.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#H-fcc/calc-esp_BEEF_500441_1/Rh_111_H-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#H-fcc/calc-esp_BEEF_500441_ens/5CO-hcp+H-fcc.bee
Rh	111	H-CH2	0.44	0.05	0.11	None	0.00	fcc	[56.0, 234.0, 339.0, 527.0, 615.0, 828.0, 969.0, 1378.0, 1913.0, 2972.0, 3028.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CH2-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH2	0.97	-0.6	0.11	CO	0.44	fcc	[56.0, 234.0, 339.0, 527.0, 615.0, 828.0, 969.0, 1378.0, 1913.0, 2972.0, 3028.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	H-CH2	1.39	-0.72	0.11	CO	0.55	fcc	[56.0, 234.0, 339.0, 527.0, 615.0, 828.0, 969.0, 1378.0, 1913.0, 2972.0, 3028.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#H@CH2-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH2CH2O	0.06	0.01	0.11	None	0.00	fcc	[56.0, 62.0, 110.0, 282.0, 301.0, 373.0, 407.0, 564.0, 723.0, 868.0, 899.0, 1009.0, 1123.0, 1136.0, 1222.0, 1324.0, 1405.0, 1448.0, 1584.0, 2927.0, 2960.0, 3012.0, 3025.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CH2CH2O-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH2CHO	-0.28	-0.03	0.11	None	0.00	fcc	[56.0, 56.0, 161.0, 367.0, 408.0, 506.0, 560.0, 661.0, 716.0, 817.0, 959.0, 1020.0, 1092.0, 1195.0, 1359.0, 1389.0, 1549.0, 2901.0, 2990.0, 3015.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CH2CHO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH2CO	-0.54	-0.06	0.11	None	0.00	fcc	[56.0, 123.0, 221.0, 245.0, 344.0, 383.0, 484.0, 602.0, 863.0, 994.0, 1030.0, 1088.0, 1332.0, 1433.0, 1684.0, 3026.0, 3087.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CH2CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH2CO	0.03	-0.7	0.11	CO	0.44	fcc	[56.0, 123.0, 221.0, 245.0, 344.0, 383.0, 484.0, 602.0, 863.0, 994.0, 1030.0, 1088.0, 1332.0, 1433.0, 1684.0, 3026.0, 3087.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	H-CH2CO	0.24	-0.84	0.11	CO	0.55	fcc	[56.0, 123.0, 221.0, 245.0, 344.0, 383.0, 484.0, 602.0, 863.0, 994.0, 1030.0, 1088.0, 1332.0, 1433.0, 1684.0, 3026.0, 3087.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#H@CH2CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH3	0.44	0.05	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 143.0, 435.0, 740.0, 826.0, 1241.0, 1398.0, 1421.0, 1731.0, 2994.0, 3046.0, 3093.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CH3-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH3	0.9	-0.61	0.11	CO	0.44	fcc	[56.0, 56.0, 56.0, 143.0, 435.0, 740.0, 826.0, 1241.0, 1398.0, 1421.0, 1731.0, 2994.0, 3046.0, 3093.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	H-CH3	1.12	-0.75	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 143.0, 435.0, 740.0, 826.0, 1241.0, 1398.0, 1421.0, 1731.0, 2994.0, 3046.0, 3093.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#H@CH3-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH3CHO	-0.38	-0.04	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 144.0, 184.0, 242.0, 290.0, 504.0, 544.0, 860.0, 928.0, 1014.0, 1101.0, 1257.0, 1325.0, 1419.0, 1452.0, 1467.0, 1657.0, 2885.0, 2972.0, 3037.0, 3079.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CH3CHO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH3CHO	0.11	-0.86	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 144.0, 184.0, 242.0, 290.0, 504.0, 544.0, 860.0, 928.0, 1014.0, 1101.0, 1257.0, 1325.0, 1419.0, 1452.0, 1467.0, 1657.0, 2885.0, 2972.0, 3037.0, 3079.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#H@CH3CHO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH3CO	-0.12	-0.88	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 106.0, 310.0, 367.0, 484.0, 656.0, 750.0, 963.0, 996.0, 1071.0, 1311.0, 1390.0, 1424.0, 1434.0, 1597.0, 2970.0, 2997.0, 3104.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#H@CH3CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH3CO	-0.22	-0.73	0.11	CO	0.44	fcc	[56.0, 56.0, 56.0, 106.0, 310.0, 367.0, 484.0, 656.0, 750.0, 963.0, 996.0, 1071.0, 1311.0, 1390.0, 1424.0, 1434.0, 1597.0, 2970.0, 2997.0, 3104.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	H-CH3CO	-0.77	-0.09	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 106.0, 310.0, 367.0, 484.0, 656.0, 750.0, 963.0, 996.0, 1071.0, 1311.0, 1390.0, 1424.0, 1434.0, 1597.0, 2970.0, 2997.0, 3104.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CH3CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CH3COH	-0.24	-0.03	0.11	None	0.00	fcc	[56.0, 56.0, 134.0, 252.0, 273.0, 306.0, 450.0, 539.0, 603.0, 664.0, 792.0, 991.0, 1028.0, 1036.0, 1207.0, 1354.0, 1431.0, 1444.0, 1920.0, 2936.0, 2971.0, 3046.0, 3587.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CH3COH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CHCO	-0.58	-0.06	0.11	None	0.00	fcc	[104.0, 170.0, 250.0, 276.0, 322.0, 484.0, 565.0, 641.0, 863.0, 947.0, 1089.0, 1670.0, 1876.0, 3058.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CHCO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CHCO	0.1	-0.7	0.11	CO	0.44	fcc	[104.0, 170.0, 250.0, 276.0, 322.0, 484.0, 565.0, 641.0, 863.0, 947.0, 1089.0, 1670.0, 1876.0, 3058.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	H-CHCO	0.4	-0.83	0.11	CO	0.55	fcc	[104.0, 170.0, 250.0, 276.0, 322.0, 484.0, 565.0, 641.0, 863.0, 947.0, 1089.0, 1670.0, 1876.0, 3058.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#H@CHCO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CO	-0.25	-0.74	0.11	CO	0.44	fcc	[71.0, 197.0, 315.0, 376.0, 537.0, 1047.0, 1445.0, 2114.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	H-CO	-0.29	-0.03	0.11	None	0.00	fcc	[71.0, 197.0, 315.0, 376.0, 537.0, 1047.0, 1445.0, 2114.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-CO	0.44	-0.82	0.11	CO	0.55	fcc	[71.0, 197.0, 315.0, 376.0, 537.0, 1047.0, 1445.0, 2114.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#H@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-COH	0.26	0.03	0.11	None	0.00	fcc	[56.0, 234.0, 265.0, 402.0, 446.0, 653.0, 1007.0, 1184.0, 1317.0, 2556.0, 3636.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@COH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-OH	0.81	0.09	0.11	None	0.00	fcc	[56.0, 273.0, 312.0, 399.0, 695.0, 831.0, 1111.0, 3615.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#H@OH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H-OH	1.21	-0.57	0.11	CO	0.44	fcc	[56.0, 273.0, 312.0, 399.0, 695.0, 831.0, 1111.0, 3615.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	H-OH	1.65	-0.69	0.11	CO	0.55	fcc	[56.0, 273.0, 312.0, 399.0, 695.0, 831.0, 1111.0, 3615.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#H@OH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	H2	0.62	0.07	0.11	None	0.00	fcc	[56.0, 56.0, 214.0, 294.0, 415.0, 4386.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#H2-br/calc-esp_BEEF_500441_1/Rh_H2_br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#H2-br/calc-esp_BEEF_500441_ens/H2.bee
Rh	111	H2O	-0.34	-0.04	0.11	None	0.00	fcc	[56.0, 182.0, 250.0, 290.0, 486.0, 726.0, 1584.0, 3642.0, 3752.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#H2O-fcc/calc-esp_BEEF_500441_1/Rh_H2O_fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#H2O-fcc/calc-esp_BEEF_500441_ens/H2O.bee
Rh	111	HCO-H	0.61	0.07	0.11	None	0.00	fcc	[137.0, 231.0, 290.0, 327.0, 493.0, 594.0, 680.0, 911.0, 1105.0, 1166.0, 2929.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#HCO@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	HCO-H	0.73	-0.63	0.11	CO	0.44	fcc	[137.0, 231.0, 290.0, 327.0, 493.0, 594.0, 680.0, 911.0, 1105.0, 1166.0, 2929.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	HCO-H	1.21	-0.74	0.11	CO	0.55	fcc	[137.0, 231.0, 290.0, 327.0, 493.0, 594.0, 680.0, 911.0, 1105.0, 1166.0, 2929.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#HCO@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	HCOO	-1.16	-1.0	0.11	CO	0.55	fcc	[102.0, 152.0, 198.0, 299.0, 352.0, 382.0, 763.0, 992.0, 1317.0, 1322.0, 1482.0, 3012.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#HCOO-hcp1/calc-esp_BEEF_500441_1/Rh_111_HCOO-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#HCOO-bridge0/calc-esp_BEEF_500441_ens/5CO-hcp+HCOO-bridge0.bee
Rh	111	HCOO	-1.64	-0.18	0.11	None	0.00	fcc	[102.0, 152.0, 198.0, 299.0, 352.0, 382.0, 763.0, 992.0, 1317.0, 1322.0, 1482.0, 3012.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HCOO-bridge0/calc-esp_BEEF_500441_1/Rh_OCHO_bridge.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HCOO-bridge0/calc-esp_BEEF_500441_ens/HCOO.bee
Rh	111	HCOOH	-0.89	-0.1	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 56.0, 256.0, 319.0, 640.0, 742.0, 1007.0, 1120.0, 1336.0, 1365.0, 1724.0, 3000.0, 3392.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HCOOH-ontop/calc-esp_BEEF_500441_1/Rh_HCOOH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HCOOH-ontop/calc-esp_BEEF_500441_ens/HCOOH.bee
Rh	111	HCOOH	-1.03	-0.99	0.11	CO	0.55	fcc	[56.0, 56.0, 56.0, 56.0, 256.0, 319.0, 640.0, 742.0, 1007.0, 1120.0, 1336.0, 1365.0, 1724.0, 3000.0, 3392.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#HCOOH-ontop/calc-esp_BEEF_500441_1/Rh_111_HCOOH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#HCOOH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+HCOOH-ontop.bee
Rh	111	HOCCH2O	-0.52	-0.06	0.11	None	0.00	fcc	[56.0, 128.0, 173.0, 246.0, 309.0, 339.0, 422.0, 519.0, 573.0, 599.0, 917.0, 990.0, 1033.0, 1179.0, 1202.0, 1282.0, 1339.0, 1401.0, 2812.0, 2895.0, 3501.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCCH2O-br/calc-esp_BEEF_500441_1/Rh_111_HOCCH2O-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCCH2O-br/calc-esp_BEEF_500441_ens/HOCCH2O.bee
Rh	111	HOCCH2OH	-0.61	-0.94	0.11	CO	0.55	fcc	[56.0, 56.0, 61.0, 202.0, 215.0, 323.0, 419.0, 449.0, 520.0, 570.0, 669.0, 827.0, 912.0, 981.0, 1040.0, 1141.0, 1215.0, 1296.0, 1332.0, 1435.0, 2946.0, 2988.0, 3528.0, 3637.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#HOCCH2OH-fcc/calc-esp_BEEF_500441_1/Rh_111_HOCCH2OH-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#HOCCH2OH-br/calc-esp_BEEF_500441_ens/5CO-hcp+HOCCH2OH-br.bee
Rh	111	HOCCH2OH	-0.74	-0.08	0.11	None	0.00	fcc	[56.0, 56.0, 61.0, 202.0, 215.0, 323.0, 419.0, 449.0, 520.0, 570.0, 669.0, 827.0, 912.0, 981.0, 1040.0, 1141.0, 1215.0, 1296.0, 1332.0, 1435.0, 2946.0, 2988.0, 3528.0, 3637.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCCH2OH-br/calc-esp_BEEF_500441_1/Rh_HOCCH2OH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCCH2OH-br/calc-esp_BEEF_500441_ens/HOCCH2OH.bee
Rh	111	HOCCHO	-0.71	-0.95	0.11	CO	0.55	fcc	[56.0, 56.0, 151.0, 316.0, 344.0, 370.0, 421.0, 511.0, 557.0, 620.0, 816.0, 1044.0, 1117.0, 1241.0, 1296.0, 1378.0, 2983.0, 3443.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#HOCCHO-br/calc-esp_BEEF_500441_1/Rh_111_HOCCHO-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#HOCCHO-br/calc-esp_BEEF_500441_ens/5CO-hcp+HOCCHO-br.bee
Rh	111	HOCCHO	-1.06	-0.12	0.11	None	0.00	fcc	[56.0, 56.0, 151.0, 316.0, 344.0, 370.0, 421.0, 511.0, 557.0, 620.0, 816.0, 1044.0, 1117.0, 1241.0, 1296.0, 1378.0, 2983.0, 3443.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCCHO-br1/calc-esp_BEEF_500441_1/Rh_111_HOCCHO-br1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCCHO-br1/calc-esp_BEEF_500441_ens/HOCCHO.bee
Rh	111	HOCCHOH	-0.74	-0.08	0.11	None	0.00	fcc	[56.0, 103.0, 248.0, 273.0, 339.0, 346.0, 385.0, 440.0, 517.0, 703.0, 724.0, 828.0, 978.0, 1068.0, 1166.0, 1232.0, 1317.0, 1406.0, 2989.0, 3505.0, 3726.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCCHOH-hcp/calc-esp_BEEF_500441_1/Rh_HOCCHOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCCHOH-hcp/calc-esp_BEEF_500441_ens/HOCCHOH.bee
Rh	111	HOCCHOH	0.23	-0.85	0.11	CO	0.55	fcc	[56.0, 103.0, 248.0, 273.0, 339.0, 346.0, 385.0, 440.0, 517.0, 703.0, 724.0, 828.0, 978.0, 1068.0, 1166.0, 1232.0, 1317.0, 1406.0, 2989.0, 3505.0, 3726.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#HOCCHOH-hcp/calc-esp_BEEF_500441_1/Rh_111_HOCCHOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#HOCCHOH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+HOCCHOH-ontop.bee
Rh	111	HOCCOH	-0.84	-0.96	0.11	CO	0.55	fcc	[113.0, 211.0, 239.0, 281.0, 321.0, 365.0, 376.0, 423.0, 567.0, 622.0, 769.0, 1005.0, 1150.0, 1220.0, 1306.0, 1450.0, 3614.0, 3640.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#HOCCOH-hcp/calc-esp_BEEF_500441_1/Rh_111_HOCCOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#HOCCOH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+HOCCOH-hcp.bee
Rh	111	HOCCOH	-1.26	-0.14	0.11	None	0.00	fcc	[113.0, 211.0, 239.0, 281.0, 321.0, 365.0, 376.0, 423.0, 567.0, 622.0, 769.0, 1005.0, 1150.0, 1220.0, 1306.0, 1450.0, 3614.0, 3640.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCCOH-hcp/calc-esp_BEEF_500441_1/Rh_HOCCOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCCOH-hcp/calc-esp_BEEF_500441_ens/HOCCOH.bee
Rh	111	HOCH2CH2OH	-0.86	-0.1	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 62.0, 155.0, 205.0, 227.0, 298.0, 407.0, 499.0, 589.0, 852.0, 883.0, 1024.0, 1043.0, 1056.0, 1168.0, 1217.0, 1332.0, 1353.0, 1393.0, 1395.0, 1456.0, 1497.0, 2866.0, 2987.0, 3006.0, 3048.0, 3621.0, 3737.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCH2CH2OH-ontop/calc-esp_BEEF_500441_1/Rh_HOCH2CH2OH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCH2CH2OH-ontop/calc-esp_BEEF_500441_ens/HOCH2CH2OH.bee
Rh	111	HOCH2CHOH	-0.79	-0.09	0.11	None	0.00	fcc	[56.0, 56.0, 86.0, 169.0, 207.0, 238.0, 320.0, 396.0, 482.0, 631.0, 716.0, 856.0, 861.0, 978.0, 1013.0, 1082.0, 1162.0, 1227.0, 1318.0, 1346.0, 1377.0, 1411.0, 2921.0, 2940.0, 3035.0, 3550.0, 3618.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCH2CHOH-br/calc-esp_BEEF_500441_1/Rh_HOCH2CHOH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCH2CHOH-br/calc-esp_BEEF_500441_ens/HOCH2CHOH.bee
Rh	111	HOCHCHOH	-0.53	-0.06	0.11	None	0.00	fcc	[56.0, 158.0, 190.0, 254.0, 287.0, 320.0, 466.0, 504.0, 544.0, 594.0, 648.0, 765.0, 883.0, 986.0, 1009.0, 1031.0, 1162.0, 1241.0, 1295.0, 1312.0, 2895.0, 2929.0, 3584.0, 3594.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCHCHOH-br/calc-esp_BEEF_500441_1/Rh_HOCHCHOH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCHCHOH-br/calc-esp_BEEF_500441_ens/HOCHCHOH.bee
Rh	111	HOCOH	-0.3	-0.03	0.11	None	0.00	fcc	[56.0, 56.0, 145.0, 227.0, 302.0, 407.0, 498.0, 563.0, 686.0, 1019.0, 1126.0, 1218.0, 1411.0, 3463.0, 3508.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#HOCOH-ontop/calc-esp_BEEF_500441_1/Rh_HOCOH_ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#HOCOH-ontop/calc-esp_BEEF_500441_ens/HOCOH.bee
Rh	111	HOCOH	0.13	-0.86	0.11	CO	0.55	fcc	[56.0, 56.0, 145.0, 227.0, 302.0, 407.0, 498.0, 563.0, 686.0, 1019.0, 1126.0, 1218.0, 1411.0, 3463.0, 3508.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#HOCOH-ontop/calc-esp_BEEF_500441_1/Rh_111_HOCOH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#HOCOH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+HOCOH-ontop.bee
Rh	111	O	-0.2	-0.02	0.11	None	0.00	fcc	[360.0, 394.0, 507.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#O-bridge/calc-esp_BEEF_500441_1/Rh_O_bridge.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#O-bridge/calc-esp_BEEF_500441_ens/O.bee
Rh	111	O	0.26	-0.68	0.11	CO	0.44	fcc	[360.0, 394.0, 507.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#O-bridge/calc-esp_BEEF_500441_1/O_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#O-bridge/calc-esp_BEEF_500441_ens/4CO-hcp+O-bridge.bee
Rh	111	O	0.45	-0.82	0.11	CO	0.55	fcc	[360.0, 394.0, 507.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#O-bridge/calc-esp_BEEF_500441_1/Rh_111_O-bridge.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#O-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+O-ontop.bee
Rh	111	O-CO	-0.56	-0.06	0.11	None	0.00	fcc	[202.0, 245.0, 325.0, 384.0, 441.0, 467.0, 586.0, 1908.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#O@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	O-CO	0.86	-0.78	0.11	CO	0.55	fcc	[202.0, 245.0, 325.0, 384.0, 441.0, 467.0, 586.0, 1908.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#5CO-hcp#O@CO-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	O-H	1.13	0.13	0.11	None	0.00	fcc	[130.0, 180.0, 294.0, 498.0, 976.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#O@H-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	O-H	1.22	-0.57	0.11	CO	0.44	fcc	[130.0, 180.0, 294.0, 498.0, 976.0]	[]	/u/if/ajmedfor/nfs/data//projects/Rh_EtOH/jobs/optimize_CO_positions/HCO-H/TS/HCO-H.traj	None
Rh	111	OCC-OH	-0.33	-0.04	0.11	None	0.00	fcc	[56.0, 211.0, 238.0, 279.0, 352.0, 407.0, 432.0, 548.0, 573.0, 742.0, 798.0, 1005.0, 1797.0, 3604.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#OCC@OH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	OCCH-O	0.32	0.04	0.11	None	0.00	fcc	[125.0, 176.0, 224.0, 240.0, 298.0, 404.0, 438.0, 495.0, 565.0, 762.0, 946.0, 994.0, 1499.0, 3129.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#OCCH@O-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	OCCH-OH	-0.02	0.0	0.11	None	0.00	fcc	[56.0, 174.0, 194.0, 265.0, 311.0, 377.0, 392.0, 518.0, 610.0, 681.0, 890.0, 936.0, 975.0, 1066.0, 1645.0, 3029.0, 3628.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#OCCH@OH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	OCCH2-OH	-0.12	-0.01	0.11	None	0.00	fcc	[56.0, 105.0, 154.0, 224.0, 294.0, 389.0, 410.0, 435.0, 527.0, 584.0, 606.0, 889.0, 937.0, 972.0, 1090.0, 1367.0, 1408.0, 3087.0, 3188.0, 3674.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/neb/slab-Rh_111_334#OCCH2@OH-ts/calc-esp_BEEF_500441_1/TS.traj	None
Rh	111	OCCH2O	-0.03	-0.87	0.11	CO	0.55	fcc	[56.0, 163.0, 216.0, 276.0, 310.0, 330.0, 452.0, 559.0, 603.0, 906.0, 978.0, 1015.0, 1140.0, 1236.0, 1409.0, 1471.0, 2969.0, 3012.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCCH2O-hcp1/calc-esp_BEEF_500441_1/Rh_111_OCCH2O-hcp1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCCH2O-hcp1/calc-esp_BEEF_500441_ens/5CO-hcp+OCCH2O-hcp1.bee
Rh	111	OCCH2O	-1.01	-0.11	0.11	None	0.00	fcc	[56.0, 163.0, 216.0, 276.0, 310.0, 330.0, 452.0, 559.0, 603.0, 906.0, 978.0, 1015.0, 1140.0, 1236.0, 1409.0, 1471.0, 2969.0, 3012.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCCH2O-hcp1/calc-esp_BEEF_500441_1/Rh_111_OCCH2O-hcp1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCCH2O-hcp1/calc-esp_BEEF_500441_ens/OCCH2O.bee
Rh	111	OCCH2OH	-0.38	-0.91	0.11	CO	0.55	fcc	[56.0, 56.0, 194.0, 222.0, 258.0, 315.0, 321.0, 442.0, 534.0, 611.0, 890.0, 978.0, 999.0, 1153.0, 1256.0, 1265.0, 1347.0, 1436.0, 2979.0, 3005.0, 3706.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCCH2OH-br1/calc-esp_BEEF_500441_1/Rh_111_OCCH2OH-br1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCCH2OH-br1/calc-esp_BEEF_500441_ens/5CO-hcp+OCCH2OH-br1.bee
Rh	111	OCCH2OH	-1.33	-0.15	0.11	None	0.00	fcc	[56.0, 56.0, 194.0, 222.0, 258.0, 315.0, 321.0, 442.0, 534.0, 611.0, 890.0, 978.0, 999.0, 1153.0, 1256.0, 1265.0, 1347.0, 1436.0, 2979.0, 3005.0, 3706.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCCH2OH-br1/calc-esp_BEEF_500441_1/Rh_111_OCCH2OH-br1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCCH2OH-br1/calc-esp_BEEF_500441_ens/OCCH2OH.bee
Rh	111	OCCHO	-0.51	-0.93	0.11	CO	0.55	fcc	[56.0, 123.0, 264.0, 286.0, 318.0, 350.0, 380.0, 503.0, 586.0, 861.0, 1025.0, 1232.0, 1309.0, 1453.0, 2963.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCCHO-hcp1/calc-esp_BEEF_500441_1/Rh_111_OCCHO-hcp1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCCHO-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+OCCHO-hcp.bee
Rh	111	OCCHO	-1.36	-0.15	0.11	None	0.00	fcc	[56.0, 123.0, 264.0, 286.0, 318.0, 350.0, 380.0, 503.0, 586.0, 861.0, 1025.0, 1232.0, 1309.0, 1453.0, 2963.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCCHO-hcp1/calc-esp_BEEF_500441_1/Rh_OCCHO-hcp1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCCHO-hcp1/calc-esp_BEEF_500441_ens/OCCHO.bee
Rh	111	OCCHOH	-0.28	-0.9	0.11	CO	0.55	fcc	[56.0, 132.0, 155.0, 251.0, 307.0, 359.0, 442.0, 548.0, 614.0, 679.0, 845.0, 893.0, 1001.0, 1136.0, 1296.0, 1640.0, 3003.0, 3586.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCCHOH-ontop/calc-esp_BEEF_500441_1/Rh_111_OCCHOH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCCHOH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+OCCHOH-hcp.bee
Rh	111	OCCHOH	-1.0	-0.11	0.11	None	0.00	fcc	[56.0, 132.0, 155.0, 251.0, 307.0, 359.0, 442.0, 548.0, 614.0, 679.0, 845.0, 893.0, 1001.0, 1136.0, 1296.0, 1640.0, 3003.0, 3586.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCCHOH-ontop/calc-esp_BEEF_500441_1/Rh_111_OCCHOH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCCHOH-ontop/calc-esp_BEEF_500441_ens/OCCHOH.bee
Rh	111	OCCOH	-0.74	-0.95	0.11	CO	0.55	fcc	[98.0, 206.0, 254.0, 274.0, 318.0, 365.0, 392.0, 504.0, 599.0, 746.0, 864.0, 1111.0, 1286.0, 1665.0, 3579.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCCOH-fcc1/calc-esp_BEEF_500441_1/Rh_111_OCCOH-fcc1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCCOH-fcc/calc-esp_BEEF_500441_ens/5CO-hcp+OCCOH-fcc.bee
Rh	111	OCCOH	-1.32	-0.15	0.11	None	0.00	fcc	[98.0, 206.0, 254.0, 274.0, 318.0, 365.0, 392.0, 504.0, 599.0, 746.0, 864.0, 1111.0, 1286.0, 1665.0, 3579.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCCOH-fcc1/calc-esp_BEEF_500441_1/Rh_OCCOH-fcc1.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCCOH-fcc1/calc-esp_BEEF_500441_ens/OCCOH.bee
Rh	111	OCH2CH2O	-0.56	-0.06	0.11	None	0.00	fcc	[56.0, 56.0, 60.0, 148.0, 261.0, 290.0, 373.0, 477.0, 537.0, 853.0, 869.0, 941.0, 1034.0, 1059.0, 1186.0, 1219.0, 1294.0, 1328.0, 1416.0, 1491.0, 2832.0, 2913.0, 2966.0, 2999.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCH2CH2O-hcp/calc-esp_BEEF_500441_1/Rh_OCH2CH2O-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCH2CH2O-hcp/calc-esp_BEEF_500441_ens/OCH2CH2O.bee
Rh	111	OCH2CH2OH	-0.83	-0.09	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 187.0, 248.0, 290.0, 323.0, 372.0, 519.0, 596.0, 838.0, 861.0, 1008.0, 1028.0, 1068.0, 1178.0, 1197.0, 1286.0, 1353.0, 1403.0, 1441.0, 1465.0, 2889.0, 2918.0, 2946.0, 2992.0, 3692.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCH2CH2OH-fcc/calc-esp_BEEF_500441_1/Rh_OCH2CH2OH-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCH2CH2OH-fcc/calc-esp_BEEF_500441_ens/OCH2CH2OH.bee
Rh	111	OCH2CHO	-0.33	-0.91	0.11	CO	0.55	fcc	[56.0, 56.0, 131.0, 200.0, 229.0, 273.0, 342.0, 443.0, 511.0, 850.0, 900.0, 1037.0, 1060.0, 1165.0, 1324.0, 1343.0, 1393.0, 1597.0, 2577.0, 2931.0, 2954.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCH2CHO-hcp2/calc-esp_BEEF_500441_1/Rh_111_OCH2CHO-hcp2.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCH2CHO-hcp1/calc-esp_BEEF_500441_ens/5CO-hcp+OCH2CHO-hcp1.bee
Rh	111	OCH2CHO	-0.65	-0.07	0.11	None	0.00	fcc	[56.0, 56.0, 131.0, 200.0, 229.0, 273.0, 342.0, 443.0, 511.0, 850.0, 900.0, 1037.0, 1060.0, 1165.0, 1324.0, 1343.0, 1393.0, 1597.0, 2577.0, 2931.0, 2954.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCH2CHO-hcp2/calc-esp_BEEF_500441_1/Rh_111_OCH2CHO-hcp2.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCH2CHO-hcp2/calc-esp_BEEF_500441_ens/OCH2CHO.bee
Rh	111	OCH2CHOH	-0.67	-0.07	0.11	None	0.00	fcc	[56.0, 102.0, 144.0, 247.0, 264.0, 312.0, 369.0, 427.0, 548.0, 632.0, 777.0, 857.0, 954.0, 1004.0, 1038.0, 1195.0, 1209.0, 1297.0, 1340.0, 1427.0, 2933.0, 3011.0, 3036.0, 3590.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCH2CHOH-hcp/calc-esp_BEEF_500441_1/Rh_OCH2CHOH-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCH2CHOH-hcp/calc-esp_BEEF_500441_ens/OCH2CHOH.bee
Rh	111	OCHCH2OH	-0.01	-0.87	0.11	CO	0.55	fcc	[56.0, 56.0, 70.0, 179.0, 206.0, 323.0, 374.0, 473.0, 534.0, 640.0, 831.0, 853.0, 969.0, 998.0, 1075.0, 1187.0, 1281.0, 1340.0, 1362.0, 1452.0, 2911.0, 2925.0, 3037.0, 3572.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCHCH2OH-ontop/calc-esp_BEEF_500441_1/Rh_111_OCHCH2OH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCHCH2OH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+OCHCH2OH-ontop.bee
Rh	111	OCHCH2OH	-0.92	-0.1	0.11	None	0.00	fcc	[56.0, 56.0, 70.0, 179.0, 206.0, 323.0, 374.0, 473.0, 534.0, 640.0, 831.0, 853.0, 969.0, 998.0, 1075.0, 1187.0, 1281.0, 1340.0, 1362.0, 1452.0, 2911.0, 2925.0, 3037.0, 3572.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCHCH2OH-br/calc-esp_BEEF_500441_1/Rh_OCHCH2OH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCHCH2OH-br/calc-esp_BEEF_500441_ens/OCHCH2OH.bee
Rh	111	OCHCHO	-1.19	-0.13	0.11	None	0.00	fcc	[56.0, 89.0, 214.0, 222.0, 246.0, 332.0, 371.0, 516.0, 740.0, 810.0, 821.0, 953.0, 1154.0, 1215.0, 1352.0, 1383.0, 2967.0, 3037.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCHCHO-hcp/calc-esp_BEEF_500441_1/Rh_CHCHOO-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCHCHO-hcp/calc-esp_BEEF_500441_ens/OCHCHO.bee
Rh	111	OCHCHO	0.17	-0.85	0.11	CO	0.55	fcc	[56.0, 89.0, 214.0, 222.0, 246.0, 332.0, 371.0, 516.0, 740.0, 810.0, 821.0, 953.0, 1154.0, 1215.0, 1352.0, 1383.0, 2967.0, 3037.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCHCHO-hcp/calc-esp_BEEF_500441_1/Rh_111_OCHCHO-hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCHCHO-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+OCHCHO-hcp.bee
Rh	111	OCHCHOH	-1.05	-0.12	0.11	None	0.00	fcc	[56.0, 56.0, 167.0, 267.0, 298.0, 315.0, 409.0, 486.0, 707.0, 732.0, 781.0, 866.0, 952.0, 1109.0, 1177.0, 1278.0, 1359.0, 1432.0, 2979.0, 3103.0, 3497.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCHCHOH-ontop/calc-esp_BEEF_500441_1/Rh_OCHCHOH-ontop.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCHCHOH-ontop/calc-esp_BEEF_500441_ens/OCHCHOH.bee
Rh	111	OCHCHOH	0.08	-0.86	0.11	CO	0.55	fcc	[56.0, 56.0, 167.0, 267.0, 298.0, 315.0, 409.0, 486.0, 707.0, 732.0, 781.0, 866.0, 952.0, 1109.0, 1177.0, 1278.0, 1359.0, 1432.0, 2979.0, 3103.0, 3497.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OCHCHOH-br/calc-esp_BEEF_500441_1/Rh_111_OCHCHOH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OCHCHOH-ontop/calc-esp_BEEF_500441_ens/5CO-hcp+OCHCHOH-ontop.bee
Rh	111	OCHCOH	-0.51	-0.06	0.11	None	0.00	fcc	[56.0, 147.0, 190.0, 233.0, 290.0, 368.0, 421.0, 525.0, 650.0, 723.0, 828.0, 1002.0, 1220.0, 1270.0, 1348.0, 1410.0, 2924.0, 3550.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCHCOH-br/calc-esp_BEEF_500441_1/Rh_OCHCOH-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCHCOH-br/calc-esp_BEEF_500441_ens/OCHCOH.bee
Rh	111	OCOCH3	-1.35	-0.15	0.11	None	0.00	fcc	[56.0, 56.0, 82.0, 103.0, 202.0, 240.0, 328.0, 378.0, 534.0, 710.0, 791.0, 952.0, 1102.0, 1157.0, 1358.0, 1451.0, 1455.0, 1677.0, 3019.0, 3089.0, 3126.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OCOCH3-br/calc-esp_BEEF_500441_1/Rh_111_OCOCH3-br.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OCOCH3-br/calc-esp_BEEF_500441_ens/OCOCH3.bee
Rh	111	OH	-0.14	-0.02	0.11	None	0.00	fcc	[56.0, 341.0, 396.0, 670.0, 718.0, 3682.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#OH-hcp/calc-esp_BEEF_500441_1/Rh_OH_hcp.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#OH-hcp/calc-esp_BEEF_500441_ens/OH.bee
Rh	111	OH	0.05	-0.7	0.11	CO	0.44	fcc	[56.0, 341.0, 396.0, 670.0, 718.0, 3682.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#4CO-hcp#OH-fcc/calc-esp_BEEF_500441_1/OH_4CO.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#4CO-hcp#OH-fcc/calc-esp_BEEF_500441_ens/4CO-hcp+OH-fcc.bee
Rh	111	OH	0.17	-0.85	0.11	CO	0.55	fcc	[56.0, 341.0, 396.0, 670.0, 718.0, 3682.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/qn/slab-Rh_111_334#5CO-hcp#OH-fcc/calc-esp_BEEF_500441_1/Rh_111_OH-fcc.traj	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_111/bee/slab-Rh_111_334#5CO-hcp#OH-hcp/calc-esp_BEEF_500441_ens/5CO-hcp+OH-hcp.bee
Rh	211	C	-0.59	-0.07	0.11	None	0.00	fcc	[347.0, 523.0, 533.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#C-ff/calc-esp_BEEF_500441_1/Rh_C_sot.traj	None
Rh	211	CCH2O	-0.42	-0.05	0.11	None	0.00	fcc	[56.0, 140.0, 270.0, 393.0, 433.0, 486.0, 613.0, 885.0, 919.0, 982.0, 1115.0, 1257.0, 1469.0, 2876.0, 2912.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCH2O-fcc/calc-esp_BEEF_500441_1/Rh_CCH2O-fcc.traj	None
Rh	211	CCH2OH	-0.72	-0.08	0.11	None	0.00	fcc	[56.0, 158.0, 179.0, 231.0, 411.0, 450.0, 490.0, 590.0, 924.0, 953.0, 1072.0, 1174.0, 1286.0, 1378.0, 1541.0, 2957.0, 3052.0, 3584.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCH2OH-fbr0/calc-esp_BEEF_500441_1/Rh_CCH2OH_fbr0.traj	None
Rh	211	CCHO	-1.49	-0.17	0.11	None	0.00	fcc	[56.0, 273.0, 294.0, 326.0, 421.0, 458.0, 694.0, 862.0, 1168.0, 1334.0, 1401.0, 2971.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCHO-fbr/calc-esp_BEEF_500441_1/Rh_211_CCHO-fbr.traj	None
Rh	211	CCHOH	-0.66	-0.07	0.11	None	0.00	fcc	[56.0, 109.0, 165.0, 265.0, 337.0, 426.0, 589.0, 661.0, 793.0, 1123.0, 1230.0, 1330.0, 1489.0, 3153.0, 3547.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCHOH-fbr0/calc-esp_BEEF_500441_1/Rh_CCHOH_fbr0.traj	None
Rh	211	CCHOOH	-1.62	-0.18	0.11	None	0.00	fcc	[56.0, 124.0, 193.0, 276.0, 306.0, 360.0, 405.0, 418.0, 460.0, 664.0, 736.0, 823.0, 927.0, 1031.0, 1326.0, 1634.0, 2855.0, 3638.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCHOOH-sbr/calc-esp_BEEF_500441_1/Rh_211_CCHOOH-sbr.traj	None
Rh	211	CCO	-1.41	-0.16	0.11	None	0.00	fcc	[56.0, 191.0, 294.0, 333.0, 354.0, 435.0, 501.0, 1076.0, 1924.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCO-fbr0/calc-esp_BEEF_500441_1/Rh_CCO_fbr0.traj	None
Rh	211	CCOH	-0.9	-0.1	0.11	None	0.00	fcc	[98.0, 213.0, 252.0, 328.0, 429.0, 465.0, 511.0, 599.0, 1000.0, 1261.0, 1444.0, 3639.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCOH-fbr0/calc-esp_BEEF_500441_1/Rh_CCOH_fbr0.traj	None
Rh	211	CCOO	-1.82	-0.2	0.11	None	0.00	fcc	[195.0, 242.0, 315.0, 329.0, 340.0, 415.0, 580.0, 703.0, 715.0, 947.0, 1085.0, 1601.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCOO-fbr/calc-esp_BEEF_500441_1/Rh_CCOO-fbr.traj	None
Rh	211	CCOOH	-1.51	-0.17	0.11	None	0.00	fcc	[140.0, 225.0, 241.0, 260.0, 317.0, 402.0, 577.0, 607.0, 644.0, 736.0, 973.0, 1123.0, 1343.0, 1640.0, 3638.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CCOOH-fcc/calc-esp_BEEF_500441_1/Rh_CCOOH-fcc.traj	None
Rh	211	CH	-0.56	-0.06	0.11	None	0.00	fcc	[352.0, 467.0, 564.0, 662.0, 757.0, 3045.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH-fcc/calc-esp_BEEF_500441_1/Rh_CH_top.traj	None
Rh	211	CH2	-0.39	-0.04	0.11	None	0.00	fcc	[58.0, 398.0, 548.0, 561.0, 634.0, 781.0, 1390.0, 3000.0, 3074.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2-sbr/calc-esp_BEEF_500441_1/Rh_CH2_top.traj	None
Rh	211	CH2CH2O	-0.84	-0.09	0.11	None	0.00	fcc	[56.0, 148.0, 202.0, 262.0, 436.0, 482.0, 504.0, 638.0, 855.0, 922.0, 980.0, 1015.0, 1125.0, 1211.0, 1308.0, 1397.0, 1432.0, 2846.0, 2934.0, 2992.0, 3041.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2CH2O-ff/calc-esp_BEEF_500441_1/Rh_CH2CH2O_ff.traj	None
Rh	211	CH2CH2OH	-0.77	-0.09	0.11	None	0.00	fcc	[56.0, 88.0, 171.0, 194.0, 309.0, 385.0, 440.0, 566.0, 653.0, 869.0, 966.0, 1018.0, 1064.0, 1120.0, 1253.0, 1340.0, 1382.0, 1427.0, 1454.0, 2902.0, 2971.0, 3008.0, 3016.0, 3637.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2CH2OH-sot0/calc-esp_BEEF_500441_1/Rh_CH2CH2OH_sot0.traj	None
Rh	211	CH2CHO	-1.56	-0.17	0.11	None	0.00	fcc	[56.0, 56.0, 68.0, 321.0, 423.0, 465.0, 494.0, 702.0, 807.0, 922.0, 937.0, 1190.0, 1247.0, 1406.0, 1467.0, 2993.0, 3087.0, 3109.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2CHO-sbr/calc-esp_BEEF_500441_1/Rh_CH2CHO_sbr.traj	None
Rh	211	CH2CHOH	-1.17	-0.13	0.11	None	0.00	fcc	[56.0, 117.0, 165.0, 219.0, 315.0, 456.0, 525.0, 569.0, 611.0, 881.0, 923.0, 961.0, 1083.0, 1139.0, 1316.0, 1392.0, 1427.0, 3027.0, 3071.0, 3118.0, 3704.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2CHOH-s2br0/calc-esp_BEEF_500441_1/Rh_CH2CHOH_s2br0.traj	None
Rh	211	CH2CHOO	-0.67	-0.07	0.11	None	0.00	fcc	[58.0, 398.0, 548.0, 561.0, 634.0, 781.0, 1390.0, 3000.0, 3074.0, 56.0, 138.0, 206.0, 248.0, 339.0, 366.0, 745.0, 1001.0, 1313.0, 1378.0, 1494.0, 3054.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2CHOO-fcc/calc-esp_BEEF_500441_1/Rh_CH2CHOO-fcc.traj	None
Rh	211	CH2CHOOH	-0.94	-0.1	0.11	None	0.00	fcc	[58.0, 398.0, 548.0, 561.0, 634.0, 781.0, 1390.0, 3000.0, 3074.0, 56.0, 56.0, 56.0, 123.0, 174.0, 194.0, 680.0, 842.0, 1022.0, 1100.0, 1314.0, 1405.0, 1703.0, 2986.0, 3353.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2CHOOH-sot/calc-esp_BEEF_500441_1/Rh_211_CH2CHOOH-sot.traj	None
Rh	211	CH2CO	-1.45	-0.16	0.11	None	0.00	fcc	[56.0, 56.0, 87.0, 180.0, 390.0, 505.0, 584.0, 644.0, 969.0, 1011.0, 1089.0, 1476.0, 1686.0, 3053.0, 3125.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2CO-fbr0/calc-esp_BEEF_500441_1/Rh_CH2CO_fbr0.traj	None
Rh	211	CH2COH	-1.44	-0.16	0.11	None	0.00	fcc	[104.0, 202.0, 242.0, 255.0, 381.0, 437.0, 557.0, 628.0, 662.0, 878.0, 970.0, 1084.0, 1235.0, 1367.0, 1480.0, 3089.0, 3167.0, 3571.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2COH-s2br0/calc-esp_BEEF_500441_1/Rh_CH2COH_s2br0.traj	None
Rh	211	CH2COO	-0.74	-0.08	0.11	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2COO-sbr/calc-esp_BEEF_500441_1/Rh_211_CH2COO-sbr.traj	None
Rh	211	CH2COOH	-1.78	-0.2	0.11	None	0.00	fcc	[56.0, 56.0, 123.0, 164.0, 178.0, 319.0, 395.0, 562.0, 582.0, 677.0, 709.0, 923.0, 1013.0, 1044.0, 1180.0, 1338.0, 1423.0, 1533.0, 3032.0, 3070.0, 3616.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2COOH-br/calc-esp_BEEF_500441_1/Rh_211_CH2COOH-br.traj	None
Rh	211	CH2O	-0.59	-0.07	0.11	None	0.00	fcc	[56.0, 99.0, 240.0, 311.0, 400.0, 486.0, 883.0, 1124.0, 1175.0, 1405.0, 2924.0, 2934.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2O-sbr0/calc-esp_BEEF_500441_1/Rh_CH2O_sbr0.traj	None
Rh	211	CH2OCH	0.5	0.06	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 186.0, 223.0, 490.0, 699.0, 752.0, 911.0, 1011.0, 1112.0, 1127.0, 1203.0, 1239.0, 1457.0, 3004.0, 3030.0, 3083.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2OCH-fbr/calc-esp_BEEF_500441_1/Rh_CH2OCH-fbr.traj	None
Rh	211	CH2OCH2	0.24	0.03	0.11	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2OCH2-ontop/calc-esp_BEEF_500441_1/Rh_211_CH2OCH2-ontop.traj	None
Rh	211	CH2OH	-0.51	-0.06	0.11	None	0.00	fcc	[56.0, 56.0, 130.0, 265.0, 369.0, 543.0, 632.0, 829.0, 1063.0, 1156.0, 1320.0, 1431.0, 3043.0, 3081.0, 3680.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2OH-sbr1/calc-esp_BEEF_500441_1/Rh_CH2OH_br.traj	None
Rh	211	CH2OO	-0.48	-0.05	0.11	None	0.00	fcc	[56.0, 113.0, 138.0, 196.0, 427.0, 471.0, 565.0, 882.0, 948.0, 1027.0, 1165.0, 1318.0, 1409.0, 2850.0, 2916.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2OO-sbr/calc-esp_BEEF_500441_1/Rh_CH2OO-sbr.traj	None
Rh	211	CH2OOH	-0.54	-0.06	0.11	None	0.00	fcc	[56.0, 146.0, 182.0, 260.0, 277.0, 356.0, 461.0, 617.0, 748.0, 1035.0, 1112.0, 1195.0, 1257.0, 1371.0, 1529.0, 2924.0, 2987.0, 3686.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH2OOH-ontop/calc-esp_BEEF_500441_1/Rh_211_CH2OOH-ontop.traj	None
Rh	211	CH3	-0.39	-0.04	0.11	None	0.00	fcc	[56.0, 56.0, 138.0, 503.0, 622.0, 638.0, 1175.0, 1404.0, 1433.0, 3024.0, 3085.0, 3108.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3-sot/calc-esp_BEEF_500441_1/Rh_CH3_sot.traj	None
Rh	211	CH3CH2O	-1.54	-0.17	0.11	None	0.00	fcc	[56.0, 113.0, 124.0, 173.0, 189.0, 345.0, 501.0, 572.0, 855.0, 887.0, 981.0, 1082.0, 1147.0, 1269.0, 1342.0, 1412.0, 1462.0, 1493.0, 1557.0, 2990.0, 3006.0, 3058.0, 3075.0, 3124.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3CH2O-sot0/calc-esp_BEEF_500441_1/Rh_CH3CH2O_sot0.traj	None
Rh	211	CH3CH2OH	-1.29	-0.14	0.11	None	0.00	fcc	[56.0, 56.0, 88.0, 129.0, 195.0, 242.0, 351.0, 477.0, 618.0, 794.0, 866.0, 1033.0, 1082.0, 1157.0, 1267.0, 1279.0, 1353.0, 1441.0, 1463.0, 1495.0, 1507.0, 3006.0, 3014.0, 3042.0, 3092.0, 3136.0, 3604.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3CH2OH-ff/calc-esp_BEEF_500441_1/Rh_CH3OH_ff.traj	None
Rh	211	CH3CHO	-1.48	-0.16	0.11	None	0.00	fcc	[56.0, 56.0, 99.0, 183.0, 261.0, 319.0, 390.0, 502.0, 697.0, 928.0, 1030.0, 1109.0, 1210.0, 1375.0, 1404.0, 1451.0, 1519.0, 2972.0, 3014.0, 3062.0, 3113.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3CHO-sot0/calc-esp_BEEF_500441_1/Rh_CH3CHO_sot0.traj	None
Rh	211	CH3CHOH	-1.01	-0.11	0.11	None	0.00	fcc	[56.0, 56.0, 65.0, 165.0, 209.0, 240.0, 374.0, 458.0, 587.0, 837.0, 904.0, 1061.0, 1072.0, 1140.0, 1243.0, 1363.0, 1417.0, 1449.0, 1532.0, 2883.0, 2956.0, 2987.0, 3098.0, 3678.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3CHOH-sot0/calc-esp_BEEF_500441_1/Rh_CH3CHOH_sot0.traj	None
Rh	211	CH3CHOO	-1.01	-0.11	0.11	None	0.00	fcc	[56.0, 56.0, 138.0, 503.0, 622.0, 638.0, 1175.0, 1404.0, 1433.0, 3024.0, 3085.0, 3108.0, 56.0, 138.0, 206.0, 248.0, 339.0, 366.0, 745.0, 1001.0, 1313.0, 1378.0, 1494.0, 3054.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3CHOO-br/calc-esp_BEEF_500441_1/Rh_CH3CHOO-br.traj	None
Rh	211	CH3CHOOH	-1.59	-0.18	0.11	None	0.00	fcc	[56.0, 56.0, 138.0, 503.0, 622.0, 638.0, 1175.0, 1404.0, 1433.0, 3024.0, 3085.0, 3108.0, 56.0, 56.0, 56.0, 123.0, 174.0, 194.0, 680.0, 842.0, 1022.0, 1100.0, 1314.0, 1405.0, 1703.0, 2986.0, 3353.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3CHOOH-sbr/calc-esp_BEEF_500441_1/Rh_CH3CHOOH-sbr.traj	None
Rh	211	CH3CO	-1.88	-0.21	0.11	None	0.00	fcc	[56.0, 56.0, 103.0, 161.0, 262.0, 378.0, 501.0, 593.0, 900.0, 1021.0, 1100.0, 1301.0, 1428.0, 1445.0, 1476.0, 3040.0, 3074.0, 3100.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3CO-sot0/calc-esp_BEEF_500441_1/Rh_CH3CO_sot0.traj	None
Rh	211	CH3COH	-1.22	-0.14	0.11	None	0.00	fcc	[56.0, 59.0, 90.0, 197.0, 242.0, 390.0, 440.0, 596.0, 715.0, 967.0, 980.0, 1036.0, 1245.0, 1316.0, 1407.0, 1441.0, 1468.0, 3021.0, 3056.0, 3095.0, 3484.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3COH-sot0/calc-esp_BEEF_500441_1/Rh_CH3COH_sot0.traj	None
Rh	211	CH3COO	-2.76	-0.31	0.11	None	0.00	fcc	[56.0, 114.0, 142.0, 156.0, 200.0, 259.0, 415.0, 550.0, 593.0, 698.0, 953.0, 1027.0, 1053.0, 1336.0, 1376.0, 1421.0, 1474.0, 1522.0, 3044.0, 3079.0, 3152.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3COO-sbr1/calc-esp_BEEF_500441_1/Rh_CH3COO_sbr1.traj	None
Rh	211	CH3COOH	-2.11	-0.23	0.11	None	0.00	fcc	[56.0, 71.0, 109.0, 137.0, 221.0, 251.0, 392.0, 436.0, 558.0, 628.0, 728.0, 900.0, 1026.0, 1062.0, 1203.0, 1307.0, 1373.0, 1455.0, 1519.0, 1646.0, 3041.0, 3096.0, 3142.0, 3231.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3COOH-sbr1/calc-esp_BEEF_500441_1/Rh_CH3OH_sbr1.traj	None
Rh	211	CH3O	-0.79	-0.09	0.11	None	0.00	fcc	[56.0, 164.0, 188.0, 298.0, 382.0, 448.0, 991.0, 1141.0, 1151.0, 1313.0, 1469.0, 1520.0, 3002.0, 3037.0, 3066.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3O-sbr/calc-esp_BEEF_500441_1/Rh_OCH3_sbr.traj	None
Rh	211	CH3OH	-0.57	-0.06	0.11	None	0.00	fcc	[56.0, 56.0, 103.0, 137.0, 172.0, 284.0, 692.0, 907.0, 1060.0, 1106.0, 1338.0, 1399.0, 1482.0, 1552.0, 3028.0, 3053.0, 3139.0, 3658.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH3OH-fbr/calc-esp_BEEF_500441_1/Rh_CH3OH_fbr.traj	None
Rh	211	CH4	-0.63	-0.07	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 107.0, 115.0, 561.0, 1306.0, 1325.0, 1517.0, 1532.0, 1591.0, 2965.0, 3065.0, 3104.0, 3129.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CH4-fbr/calc-esp_BEEF_500441_1/Rh_CH3OH_fbr.traj	None
Rh	211	CHCH2O	-0.5	-0.06	0.11	None	0.00	fcc	[56.0, 240.0, 295.0, 316.0, 370.0, 518.0, 607.0, 637.0, 852.0, 895.0, 1015.0, 1156.0, 1183.0, 1300.0, 1407.0, 2846.0, 2929.0, 2962.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCH2O-fbr/calc-esp_BEEF_500441_1/Rh_CHCH2O-fbr.traj	None
Rh	211	CHCH2OH	-0.86	-0.1	0.11	None	0.00	fcc	[56.0, 147.0, 195.0, 218.0, 263.0, 375.0, 482.0, 573.0, 751.0, 885.0, 919.0, 1025.0, 1147.0, 1158.0, 1277.0, 1394.0, 1429.0, 2937.0, 2958.0, 3008.0, 3629.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCH2OH-sbr0/calc-esp_BEEF_500441_1/Rh_CHCH2OH_sbr0.traj	None
Rh	211	CHCHO	-1.42	-0.16	0.11	None	0.00	fcc	[56.0, 127.0, 262.0, 340.0, 352.0, 435.0, 669.0, 765.0, 942.0, 1013.0, 1190.0, 1343.0, 1434.0, 2951.0, 3042.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCHO-s2br0/calc-esp_BEEF_500441_1/Rh_CHCHO_s2br0.traj	None
Rh	211	CHCHOH	-1.13	-0.13	0.11	None	0.00	fcc	[56.0, 120.0, 190.0, 273.0, 314.0, 423.0, 434.0, 630.0, 771.0, 924.0, 1035.0, 1099.0, 1232.0, 1297.0, 1503.0, 3030.0, 3114.0, 3772.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCHOH-sbr0/calc-esp_BEEF_500441_1/Rh_CHCHOH_sbr0.traj	None
Rh	211	CHCHOOH	0.28	0.03	0.11	None	0.00	fcc	[56.0, 56.0, 145.0, 198.0, 318.0, 373.0, 442.0, 507.0, 528.0, 594.0, 695.0, 943.0, 1047.0, 1090.0, 1146.0, 1260.0, 1297.0, 1420.0, 2949.0, 3098.0, 3329.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCHOOH-fcc/calc-esp_BEEF_500441_1/Rh_CHCHOOH-fcc.traj	None
Rh	211	CHCO	-1.45	-0.16	0.11	None	0.00	fcc	[56.0, 203.0, 238.0, 327.0, 377.0, 528.0, 565.0, 669.0, 1000.0, 1134.0, 2086.0, 3128.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCO-sot0/calc-esp_BEEF_500441_1/Rh_CHCO_sot0.traj	None
Rh	211	CHCOH	-1.39	-0.15	0.11	None	0.00	fcc	[56.0, 143.0, 312.0, 356.0, 393.0, 475.0, 525.0, 631.0, 834.0, 996.0, 1078.0, 1178.0, 1360.0, 3014.0, 3631.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCOH-fbr0/calc-esp_BEEF_500441_1/Rh_CHCOH_fbr0.traj	None
Rh	211	CHCOO	-1.4	-0.16	0.11	None	0.00	fcc	[56.0, 56.0, 184.0, 273.0, 309.0, 362.0, 428.0, 523.0, 594.0, 773.0, 1032.0, 1228.0, 1310.0, 1351.0, 2994.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCOO-fcc1/calc-esp_BEEF_500441_1/Rh_CHCOO-fcc1.traj	None
Rh	211	CHCOOH	-1.99	-0.22	0.11	None	0.00	fcc	[]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHCOOH-br/calc-esp_BEEF_500441_1/Rh_CHCOOH-br.traj	None
Rh	211	CHO	-0.97	-0.11	0.11	None	0.00	fcc	[126.0, 244.0, 254.0, 305.0, 529.0, 737.0, 1203.0, 1476.0, 2943.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHO-sbr/calc-esp_BEEF_500441_1/Rh_CHO_sbr.traj	None
Rh	211	CHOC	-1.1	-0.12	0.11	None	0.00	fcc	[56.0, 189.0, 219.0, 284.0, 388.0, 409.0, 612.0, 657.0, 925.0, 1115.0, 1552.0, 2983.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHOC-fbr/calc-esp_BEEF_500441_1/Rh_CHOC-fbr.traj	None
Rh	211	CHOCH	-1.07	-0.12	0.11	None	0.00	fcc	[56.0, 123.0, 214.0, 256.0, 320.0, 478.0, 617.0, 720.0, 936.0, 1034.0, 1190.0, 1361.0, 1445.0, 2898.0, 2943.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHOCH-fcc/calc-esp_BEEF_500441_1/Rh_CHOCH-fcc.traj	None
Rh	211	CHOH	-0.73	-0.08	0.11	None	0.00	fcc	[56.0, 56.0, 298.0, 367.0, 457.0, 497.0, 822.0, 1106.0, 1200.0, 1377.0, 2969.0, 3550.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CHOH-sbr/calc-esp_BEEF_500441_1/Rh_CHOH_sbr.traj	None
Rh	211	CO	-1.79	-0.2	0.11	None	0.00	fcc	[56.0, 245.0, 305.0, 332.0, 383.0, 1842.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CO-sbr/calc-esp_BEEF_500441_1/Rh_CO_sbr.traj	None
Rh	211	CO2	-1.66	-0.18	0.11	None	0.00	fcc	[56.0, 56.0, 137.0, 187.0, 205.0, 620.0, 644.0, 1320.0, 2347.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#CO2-fbr/calc-esp_BEEF_500441_1/Rh_CO2_fbr.traj	None
Rh	211	COC	-0.96	-0.11	0.11	None	0.00	fcc	[178.0, 228.0, 333.0, 352.0, 385.0, 406.0, 471.0, 867.0, 1623.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#COC-br/calc-esp_BEEF_500441_1/Rh_COC-br.traj	None
Rh	211	COCH2	0.36	0.04	0.11	None	0.00	fcc	[56.0, 63.0, 112.0, 176.0, 285.0, 366.0, 730.0, 815.0, 918.0, 1061.0, 1103.0, 1294.0, 1478.0, 3066.0, 3125.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#COCH2-fcc/calc-esp_BEEF_500441_1/Rh_COCH2-fcc.traj	None
Rh	211	COH	-0.7	-0.08	0.11	None	0.00	fcc	[56.0, 192.0, 315.0, 344.0, 502.0, 609.0, 1130.0, 1310.0, 3604.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#COH-sbr/calc-esp_BEEF_500441_1/Rh_COH_sbr.traj	None
Rh	211	COHOH	-1.26	-0.14	0.11	None	0.00	fcc	[56.0, 156.0, 248.0, 284.0, 303.0, 336.0, 580.0, 643.0, 678.0, 1050.0, 1115.0, 1299.0, 1367.0, 3427.0, 3679.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#COHOH-sbr/calc-esp_BEEF_500441_1/Rh_COHOH_sbr.traj	None
Rh	211	COOH	-1.62	-0.18	0.11	None	0.00	fcc	[56.0, 110.0, 227.0, 264.0, 326.0, 485.0, 633.0, 744.0, 1112.0, 1295.0, 1436.0, 3518.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#COOH-sbr/calc-esp_BEEF_500441_1/Rh_COOH_sbr.traj	None
Rh	211	H	-0.02	0.0	0.11	None	0.00	fcc	[231.0, 941.0, 1220.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#H-sbr/calc-esp_BEEF_500441_1/Rh_H_sbr.traj	None
Rh	211	H2	0.41	0.05	0.11	None	0.00	fcc	[56.0, 303.0, 312.0, 643.0, 1460.0, 3016.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#H2-sot/calc-esp_BEEF_500441_1/Rh_H2_sot.traj	None
Rh	211	H2O	-0.32	-0.04	0.11	None	0.00	fcc	[56.0, 56.0, 155.0, 206.0, 258.0, 364.0, 1549.0, 3682.0, 3838.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#H2O-fbr/calc-esp_BEEF_500441_1/Rh_H2O_fbr.traj	None
Rh	211	HCOO	-2.02	-0.22	0.11	None	0.00	fcc	[56.0, 138.0, 206.0, 248.0, 339.0, 366.0, 745.0, 1001.0, 1313.0, 1378.0, 1494.0, 3054.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#HCOO-s2br/calc-esp_BEEF_500441_1/Rh_OCHO_sbr.traj	None
Rh	211	HCOOH	-0.93	-0.1	0.11	None	0.00	fcc	[56.0, 56.0, 56.0, 123.0, 174.0, 194.0, 680.0, 842.0, 1022.0, 1100.0, 1314.0, 1405.0, 1703.0, 2986.0, 3353.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#HCOOH-fcc/calc-esp_BEEF_500441_1/Rh_HCOOH-fcc.traj	None
Rh	211	O	-0.35	-0.04	0.11	None	0.00	fcc	[194.0, 494.0, 531.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#O-sbr/calc-esp_BEEF_500441_1/Rh_O_sbr.traj	None
Rh	211	OCH2CH2O	-0.81	-0.09	0.11	None	0.00	fcc	[56.0, 99.0, 240.0, 311.0, 400.0, 486.0, 883.0, 1124.0, 1175.0, 1405.0, 2924.0, 2934.0, 56.0, 99.0, 240.0, 311.0, 400.0, 486.0, 883.0, 1124.0, 1175.0, 1405.0, 2924.0, 2934.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#OCH2CH2O-sot/calc-esp_BEEF_500441_1/Rh_OCH2CH2O-sot.traj	None
Rh	211	OCH2O	-0.54	-0.06	0.11	None	0.00	fcc	[83.0, 137.0, 176.0, 200.0, 434.0, 468.0, 602.0, 879.0, 1000.0, 1031.0, 1184.0, 1342.0, 1511.0, 2901.0, 2972.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#OCH2O-s2br/calc-esp_BEEF_500441_1/Rh_OCH2O_sbr.traj	None
Rh	211	OCHCHO	-1.42	-0.16	0.11	None	0.00	fcc	[97.0, 161.0, 224.0, 297.0, 306.0, 369.0, 418.0, 477.0, 760.0, 869.0, 940.0, 952.0, 1137.0, 1232.0, 1374.0, 1392.0, 2966.0, 3065.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#OCHCHO-fcc1/calc-esp_BEEF_500441_1/Rh_OCHCHO-fcc1.traj	None
Rh	211	OH	-0.67	-0.07	0.11	None	0.00	fcc	[56.0, 367.0, 398.0, 631.0, 771.0, 3684.0]	[]	/u/if/ajmedfor/nfs/data//dft/metals/Rh/SG225_211/qn/slab-Rh_211_334#OH-sbr/calc-esp_BEEF_500441_1/Rh_OH_sbr.traj	None