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	hartrees
Energy at 0K	-113.767694
Energy at 298.15K	-113.767516
HF Energy	-113.767694
Nuclear repulsion energy	25.009225

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'	3289	3162	16.37	449.29	0.33	0.49
2	A'	1257	1208	58.53	6.72	0.75	0.86
3	A'	1057	1016	155.31	28.24	0.54	0.70

Atom	x (Å)	y (Å)
C1	0.058	0.828
O2	0.058	-0.496
H3	-0.805	-0.996

	C1	O2	H3
C1		1.3236	2.0173
O2	1.3236		0.9972
H3	2.0173	0.9972

Number	Element	Mulliken
1	C	-0.005
2	O	-0.375
3	H	0.380

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B3LYP/SDD

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
	-1.945	-2.158	0.000	2.905
CHELPG
AIM
ESP

	x	y	z
x	1.778	0.470	0.000
y	0.470	2.883	0.000
z	0.000	0.000	1.354

<r²>	15.190
(<r²>)^1/2	3.897