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	hartrees
Energy at 0K	-112.089749
Energy at 298.15K	-112.089578
HF Energy	-112.058340
Nuclear repulsion energy	24.773320

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'	3406	3406	46.31	92.27	0.31	0.47
2	A'	1437	1437	8.33	11.05	0.43	0.60
3	A'	1189	1189	76.01	7.08	0.70	0.82

Atom	x (Å)	y (Å)
C1	0.064	0.824
O2	0.064	-0.507
H3	-0.901	-0.887

	C1	O2	H3
C1		1.3315	1.9649
O2	1.3315		1.0373
H3	1.9649	1.0373

Number	Element	Mulliken
1	C	-0.018
2	O	-0.192
3	H	0.210

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP/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
	-1.431	-1.698	0.000	2.221
CHELPG
AIM
ESP

	x	y	z
x	0.993	0.420	0.000
y	0.420	1.519	-0.000
z	0.000	-0.000	0.626

<r²>	14.170
(<r²>)^1/2	3.764