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	hartrees
Energy at 0K	-21.601338
Energy at 298.15K	-21.601181
HF Energy	-21.601338
Nuclear repulsion energy	13.972952

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'	3931	3543	69.84	126.66	0.31	0.47
2	A'	1338	1206	198.75	7.18	0.51	0.68
3	A'	1173	1057	193.37	8.10	0.73	0.84

Atom	x (Å)	y (Å)
C1	0.056	0.825
O2	0.056	-0.497
H3	-0.783	-0.972

	C1	O2	H3
C1		1.3214	1.9828
O2	1.3214		0.9639
H3	1.9828	0.9639

Number	Element	Mulliken
1	C	0.006
2	O	-0.427
3	H	0.421

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: HF/CEP-31G

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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	x	y	z	Total
	-2.089	-1.773	0.000	2.740
CHELPG
AIM
ESP

	x	y	z
x	1.825	0.327	0.000
y	0.327	2.336	0.000
z	0.000	0.000	1.459

<r²>	13.300
(<r²>)^1/2	3.647