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	hartrees
Energy at 0K	-113.671334
Energy at 298.15K	-113.671176
HF Energy	-113.582404
Nuclear repulsion energy	25.701083

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'	3319	3150	23.65	370.29	0.32	0.49
2	A'	1393	1322	44.87	6.64	0.75	0.86
3	A'	1150	1092	101.12	31.43	0.47	0.64

Atom	x (Å)	y (Å)
C1	0.060	0.798
O2	0.060	-0.487
H3	-0.845	-0.887

	C1	O2	H3
C1		1.2852	1.9124
O2	1.2852		0.9899
H3	1.9124	0.9899

Number	Element	Mulliken
1	C	0.006
2	O	-0.435
3	H	0.428

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP/6-31G*

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
	-1.712	-2.085	0.000	2.698
CHELPG
AIM
ESP

	x	y	z
x	1.721	0.413	0.000
y	0.413	2.506	-0.000
z	0.000	-0.000	1.315

<r²>	14.469
(<r²>)^1/2	3.804