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	hartrees
Energy at 0K	-113.807412
Energy at 298.15K	-113.807254
HF Energy	-113.807412
Nuclear repulsion energy	25.809867

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'	3285	3187	53.20	851.87	0.33	0.50
2	A'	1369	1329	44.32	30.08	0.51	0.68
3	A'	1129	1096	87.00	75.40	0.39	0.56

Atom	x (Å)	y (Å)
C1	0.060	0.794
O2	0.060	-0.484
H3	-0.841	-0.891

	C1	O2	H3
C1		1.2784	1.9115
O2	1.2784		0.9893
H3	1.9115	0.9893

Number	Element	Mulliken
1	C	-0.016
2	O	-0.114
3	H	0.130

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B3LYP/aug-cc-pVDZ

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
	-1.558	-2.172	0.000	2.673
CHELPG
AIM
ESP

	x	y	z
x	2.853	0.432	0.000
y	0.432	3.500	0.000
z	0.000	0.000	2.196

<r²>	14.834
(<r²>)^1/2	3.851