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State	Conformation	minimum conformation	conformer description	state description
1	1	no	CS cis	¹A^'
1	2	yes	CS trans	¹A^'

	hartrees
Energy at 0K	-188.848975
Energy at 298.15K	-188.850055
HF Energy	-188.207510
Nuclear repulsion energy	62.974788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3640	3530
2	A'	1845	1790
3	A'	1308	1269
4	A'	1072	1040
5	A'	600	582
6	A"	572	555

	hartrees
Energy at 0K	-188.851886
Energy at 298.15K	-188.852942
HF Energy	-188.208345
Nuclear repulsion energy	62.743624

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3805	3691
2	A'	1885	1828
3	A'	1252	1215
4	A'	1076	1044
5	A'	612	594
6	A"	529	513

All results from a given calculation for HOCO (Hydrocarboxyl radical)

using model chemistry: CCSD(T)/aug-cc-pVTZ

States and conformations

Conformer 1 (CS cis)

Conformer 2 (CS trans)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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