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State	Conformation	minimum conformation	conformer description	state description
1	1	no	CS H all up	¹A^'
1	2	yes	CS OH down	¹A^'
1	3	no	CS CH up	¹A^'

	hartrees
Energy at 0K	-169.706309
Energy at 298.15K	-169.710282
HF Energy	-169.706309
Nuclear repulsion energy	70.107221

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3708	3685	58.57
2	A'	3435	3415	9.24
3	A'	2958	2940	61.07
4	A'	1693	1683	202.87
5	A'	1349	1341	13.98
6	A'	1282	1274	146.99
7	A'	1148	1141	36.70
8	A'	1023	1016	206.30
9	A'	590	587	1.59
10	A"	975	969	1.39
11	A"	798	793	70.46
12	A"	429	427	54.85

All results from a given calculation for HOCHNH (hydroxymethylimine)

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

Conformer 1 (CS H all up)

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