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	hartrees
Energy at 0K	-113.103042
Energy at 298.15K	-113.102875
HF Energy	-113.103042
Nuclear repulsion energy	25.243518

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'	3047	2915	47.75	495.57	0.33	0.50
2	A'	1312	1255	14.09	8.09	0.67	0.80
3	A'	1098	1051	134.85	31.08	0.51	0.68

Atom	x (Å)	y (Å)
C1	0.059	0.815
O2	0.059	-0.490
H3	-0.831	-0.969

	C1	O2	H3
C1		1.3049	1.9938
O2	1.3049		1.0114
H3	1.9938	1.0114

Number	Element	Mulliken
1	C	0.138
2	O	-0.527
3	H	0.388

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B1B95/3-21G

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
	-1.893	-2.090	0.000	2.820
CHELPG
AIM
ESP

	x	y	z
x	1.504	0.530	0.000
y	0.530	2.478	0.000
z	0.000	0.000	1.116

<r²>	14.749
(<r²>)^1/2	3.840