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	hartrees
Energy at 0K	-113.815521
Energy at 298.15K	-113.815349
HF Energy	-113.815521
Nuclear repulsion energy	25.739473

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'	2828	2819	362.95	2515.93	0.35	0.52
2	A'	1300	1296	5.44	180.76	0.42	0.59
3	A'	1051	1047	55.96	475.09	0.37	0.54

Atom	x (Å)	y (Å)
C1	0.060	0.795
O2	0.060	-0.481
H3	-0.846	-0.925

	C1	O2	H3
C1		1.2756	1.9441
O2	1.2756		1.0095
H3	1.9441	1.0095

Number	Element	Mulliken
1	C	-0.124
2	O	-0.081
3	H	0.205

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: BLYP/aug-cc-pVTZ

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
	-1.442	-2.171	0.000	2.606
CHELPG
AIM
ESP

	x	y	z
x	3.297	0.802	0.000
y	0.802	4.285	0.000
z	0.000	0.000	2.369

<r²>	14.973
(<r²>)^1/2	3.870