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	hartrees
Energy at 0K	-113.680514
Energy at 298.15K	-113.680361
HF Energy	-113.680514
Nuclear repulsion energy	26.022359

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'	3297	3160	61.18	623.11	0.33	0.50
2	A'	1423	1364	45.61	18.73	0.49	0.66
3	A'	1170	1122	89.20	53.32	0.45	0.62

Atom	x (Å)	y (Å)
C1	0.059	0.788
O2	0.059	-0.479
H3	-0.831	-0.897

	C1	O2	H3
C1		1.2667	1.9055
O2	1.2667		0.9838
H3	1.9055	0.9838

Number	Element	Mulliken
1	C	-0.059
2	O	-0.350
3	H	0.409

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBE1PBE/6-311G*

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
	-1.766	-2.242	0.000	2.854
CHELPG
AIM
ESP

	x	y	z
x	1.907	0.454	0.000
y	0.454	2.713	0.000
z	0.000	0.000	1.469

<r²>	14.471
(<r²>)^1/2	3.804