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	hartrees
Energy at 0K	-113.843121
Energy at 298.15K	-113.842963
HF Energy	-113.843121
Nuclear repulsion energy	26.003200

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'	3268	3167	63.95	1000.12	0.34	0.51
2	A'	1385	1342	37.89	44.59	0.46	0.63
3	A'	1127	1092	90.48	90.78	0.36	0.53

Atom	x (Å)	y (Å)
C1	0.060	0.788
O2	0.060	-0.479
H3	-0.833	-0.898

	C1	O2	H3
C1		1.2672	1.9077
O2	1.2672		0.9859
H3	1.9077	0.9859

Number	Element	Mulliken
1	C	0.033
2	O	-0.386
3	H	0.354

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B3LYP/aug-cc-pVQZ

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
	-1.533	-2.233	0.000	2.709
CHELPG
AIM
ESP

	x	y	z
x	2.982	0.445	0.000
y	0.445	3.582	0.000
z	0.000	0.000	2.300

<r²>	14.708
(<r²>)^1/2	3.835