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	hartrees
Energy at 0K	-113.755709
Energy at 298.15K	-113.755554
HF Energy	-113.634323
Nuclear repulsion energy	25.937168

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3412	3262	27.30	400.18	0.31	0.47
2	A'	1400	1338	50.64	6.35	0.73	0.84
3	A'	1141	1091	102.79	28.01	0.43	0.60

Atom	x (Å)	y (Å)
C1	0.060	0.790
O2	0.060	-0.483
H3	-0.839	-0.876

	C1	O2	H3
C1		1.2735	1.8935
O2	1.2735		0.9810
H3	1.8935	0.9810

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP=FULL/cc-pVTZ

States and conformations

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