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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	-188.835275
Energy at 298.15K	-188.836365
HF Energy	-188.204318
Nuclear repulsion energy	62.979899

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3656	3468
2	A'	1848	1753
3	A'	1319	1251
4	A'	1075	1020
5	A'	602	571
6	A"	583	553

	hartrees
Energy at 0K	-188.837861
Energy at 298.15K	-188.838921
HF Energy	-188.204739
Nuclear repulsion energy	62.709485

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3827	3631
2	A'	1886	1789
3	A'	1260	1195
4	A'	1082	1027
5	A'	616	584
6	A"	530	503

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

using model chemistry: QCISD(T)/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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