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	hartrees
Energy at 0K	-112.138899
Energy at 298.15K	-112.138728
HF Energy	-112.138899
Nuclear repulsion energy	24.856646

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'	3325	2936	69.55	109.41	0.31	0.47
2	A'	1447	1277	8.87	8.27	0.46	0.63
3	A'	1179	1041	66.05	10.47	0.65	0.79

Atom	x (Å)	y (Å)
C1	0.064	0.821
O2	0.064	-0.503
H3	-0.898	-0.899

	C1	O2	H3
C1		1.3245	1.9713
O2	1.3245		1.0405
H3	1.9713	1.0405

Number	Element	Mulliken
1	C	-0.021
2	O	-0.194
3	H	0.215

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: HSEh1PBE/STO-3G

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
	-1.436	-1.719	0.000	2.239
CHELPG
AIM
ESP

	x	y	z
x	0.991	0.430	0.000
y	0.430	1.510	0.000
z	0.000	0.000	0.626

<r²>	14.106
(<r²>)^1/2	3.756