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	hartrees
Energy at 0K	-113.813402
Energy at 298.15K	-113.813246
HF Energy	-113.813402
Nuclear repulsion energy	25.938807

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'	3159	3052	107.35	806.20	0.34	0.50
2	A'	1383	1336	27.98	30.32	0.45	0.62
3	A'	1155	1117	84.94	78.37	0.43	0.60

Atom	x (Å)	y (Å)
C1	0.060	0.790
O2	0.060	-0.479
H3	-0.833	-0.909

	C1	O2	H3
C1		1.2693	1.9191
O2	1.2693		0.9907
H3	1.9191	0.9907

Number	Element	Mulliken
1	C	-0.057
2	O	-0.337
3	H	0.394

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B3LYP/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
	-1.735	-2.198	0.000	2.801
CHELPG
AIM
ESP

	x	y	z
x	1.929	0.522	0.000
y	0.522	2.821	0.000
z	0.000	0.000	1.463

<r²>	14.538
(<r²>)^1/2	3.813