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	hartrees
Energy at 0K	-113.786978
Energy at 298.15K	-113.786805
HF Energy	-113.786978
Nuclear repulsion energy	25.577930

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'	2864	2859	305.21	2240.82	0.35	0.52
2	A'	1289	1287	6.19	136.52	0.43	0.60
3	A'	1051	1049	53.33	387.83	0.38	0.55

Atom	x (Å)	y (Å)
C1	0.061	0.800
O2	0.061	-0.485
H3	-0.853	-0.918

	C1	O2	H3
C1		1.2855	1.9461
O2	1.2855		1.0109
H3	1.9461	1.0109

Number	Element	Mulliken
1	C	-0.036
2	O	-0.070
3	H	0.107

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: BLYP/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
	-1.469	-2.128	0.000	2.586
CHELPG
AIM
ESP

	x	y	z
x	3.162	0.755	0.000
y	0.755	4.161	0.000
z	0.000	0.000	2.276

<r²>	15.074
(<r²>)^1/2	3.882