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	hartrees
Energy at 0K	-113.734807
Energy at 298.15K	-113.734651
HF Energy	-113.734807
Nuclear repulsion energy	25.866534

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'	3281	3114	45.87	499.66	0.33	0.49
2	A'	1421	1349	46.18	11.89	0.61	0.76
3	A'	1143	1085	90.25	44.96	0.44	0.61

Atom	x (Å)	y (Å)
C1	0.060	0.792
O2	0.060	-0.483
H3	-0.840	-0.893

	C1	O2	H3
C1		1.2749	1.9101
O2	1.2749		0.9888
H3	1.9101	0.9888

Number	Element	Mulliken
1	C	0.000
2	O	-0.426
3	H	0.426

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B1B95/6-31G*

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
	-1.686	-2.107	0.000	2.698
CHELPG
AIM
ESP

	x	y	z
x	1.730	0.447	0.000
y	0.447	2.528	0.000
z	0.000	0.000	1.320

<r²>	14.322
(<r²>)^1/2	3.784