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	hartrees
Energy at 0K	-113.793610
Energy at 298.15K	-113.793451
HF Energy	-113.793610
Nuclear repulsion energy	25.898180

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'	3264	3150	52.38	508.41	0.32	0.49
2	A'	1397	1348	29.33	11.59	0.65	0.79
3	A'	1126	1087	80.43	46.76	0.42	0.59

Atom	x (Å)	y (Å)
C1	0.060	0.791
O2	0.060	-0.482
H3	-0.838	-0.893

	C1	O2	H3
C1		1.2733	1.9090
O2	1.2733		0.9877
H3	1.9090	0.9877

Number	Element	Mulliken
1	C	-0.148
2	O	-0.167
3	H	0.315

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B3LYP/6-31G(2df,p)

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
	-1.528	-2.161	0.000	2.647
CHELPG
AIM
ESP

	x	y	z
x	1.929	0.453	0.000
y	0.453	2.684	0.000
z	0.000	0.000	1.553

<r²>	14.351
(<r²>)^1/2	3.788