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	hartrees
Energy at 0K	-22.084039
Energy at 298.15K	-22.083882
HF Energy	-22.084039
Nuclear repulsion energy	14.141364

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'	3539	3539	24.25	263.23	0.31	0.48
2	A'	1409	1409	101.70	4.71	0.75	0.85
3	A'	1144	1144	102.45	26.18	0.49	0.66

Atom	x (Å)	y (Å)
C1	0.061	0.802
O2	0.061	-0.492
H3	-0.847	-0.876

	C1	O2	H3
C1		1.2947	1.9077
O2	1.2947		0.9853
H3	1.9077	0.9853

Number	Element	Mulliken
1	C	-0.216
2	O	-0.200
3	H	0.416

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: wB97X-D/CEP-31G*

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
	-1.810	-2.218	0.000	2.862
CHELPG
AIM
ESP

	x	y	z
x	1.903	0.346	0.000
y	0.346	2.601	0.000
z	0.000	0.000	1.535

<r²>	12.896
(<r²>)^1/2	3.591