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	hartrees
Energy at 0K	-113.600919
Energy at 298.15K	-113.600750
HF Energy	-113.537887
Nuclear repulsion energy	25.091923

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'	3293	3293	6.25	369.44	0.33	0.49
2	A'	1270	1270	36.06	7.73	0.71	0.83
3	A'	1108	1108	165.68	17.83	0.58	0.74

Atom	x (Å)	y (Å)
C1	0.058	0.824
O2	0.058	-0.496
H3	-0.810	-0.979

	C1	O2	H3
C1		1.3202	2.0007
O2	1.3202		0.9926
H3	2.0007	0.9926

Number	Element	Mulliken
1	C	0.118
2	O	-0.522
3	H	0.404

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP/6-31G

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
	-1.950	-1.970	0.000	2.772
CHELPG
AIM
ESP

	x	y	z
x	1.646	0.453	0.000
y	0.453	2.660	-0.000
z	0.000	-0.000	1.224

<r²>	14.993
(<r²>)^1/2	3.872