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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	-188.612966
Energy at 298.15K	-188.614049
HF Energy	-188.123386
Nuclear repulsion energy	62.500132

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3547	3403
2	A'	1858	1782
3	A'	1328	1274
4	A'	1088	1044
5	A'	593	569
6	A"	599	574

	hartrees
Energy at 0K	-188.614430
Energy at 298.15K	-188.615477
HF Energy	-188.122678
Nuclear repulsion energy	62.212158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3724	3572
2	A'	1894	1817
3	A'	1277	1225
4	A'	1084	1040
5	A'	604	580
6	A"	538	516

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

using model chemistry: QCISD(T)/6-31G*

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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