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	hartrees
Energy at 0K	-22.087977
Energy at 298.15K	-22.087822
HF Energy	-22.087977
Nuclear repulsion energy	14.205357

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'	3481	3481	21.43	355.55	0.33	0.50
2	A'	1398	1398	90.62	5.87	0.73	0.84
3	A'	1156	1156	105.38	28.35	0.49	0.66

Atom	x (Å)	y (Å)
C1	0.060	0.798
O2	0.060	-0.489
H3	-0.843	-0.878

	C1	O2	H3
C1		1.2876	1.9039
O2	1.2876		0.9829
H3	1.9039	0.9829

Number	Element	Mulliken
1	C	-0.107
2	O	-0.325
3	H	0.432

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: wB97X-D/CEP-121G*

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
	-1.785	-2.220	0.000	2.849
CHELPG
AIM
ESP

	x	y	z
x	2.055	0.357	0.000
y	0.357	2.774	0.000
z	0.000	0.000	1.604

<r²>	12.870
(<r²>)^1/2	3.587