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	hartrees
Energy at 0K	-112.214183
Energy at 298.15K	-112.214009
HF Energy	-112.214183
Nuclear repulsion energy	24.865582

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'	3304	2917	71.57	114.00	0.31	0.47
2	A'	1441	1272	10.58	7.82	0.47	0.64
3	A'	1166	1029	68.05	11.19	0.64	0.78

Atom	x (Å)	y (Å)
C1	0.064	0.821
O2	0.064	-0.503
H3	-0.896	-0.905

	C1	O2	H3
C1		1.3236	1.9749
O2	1.3236		1.0408
H3	1.9749	1.0408

Number	Element	Mulliken
1	C	-0.017
2	O	-0.199
3	H	0.216

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B1B95/STO-3G

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
	-1.446	-1.707	0.000	2.237
CHELPG
AIM
ESP

	x	y	z
x	0.971	0.439	0.000
y	0.439	1.526	0.000
z	0.000	0.000	0.616

<r²>	14.094
(<r²>)^1/2	3.754