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	hartrees
Energy at 0K	-22.053316
Energy at 298.15K	-22.053133
HF Energy	-22.053316
Nuclear repulsion energy	13.714580

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'	3330	3225	13.25	404.82	0.33	0.49
2	A'	1234	1195	63.96	8.23	0.75	0.86
3	A'	1032	1000	155.15	32.68	0.53	0.69

Atom	x (Å)	y (Å)
C1	0.058	0.835
O2	0.058	-0.502
H3	-0.814	-0.994

	C1	O2	H3
C1		1.3372	2.0259
O2	1.3372		1.0008
H3	2.0259	1.0008

Number	Element	Mulliken
1	C	-0.103
2	O	-0.265
3	H	0.369

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B3LYP/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
	-1.982	-2.005	0.000	2.819
CHELPG
AIM
ESP

	x	y	z
x	1.872	0.493	0.000
y	0.493	2.895	0.000
z	0.000	0.000	1.437

<r²>	13.454
(<r²>)^1/2	3.668