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	hartrees
Energy at 0K	-113.794463
Energy at 298.15K	-113.794306
HF Energy	-113.794463
Nuclear repulsion energy	26.030842

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'	3368	3213	41.98	623.37	0.33	0.50
2	A'	1420	1355	61.49	19.10	0.51	0.68
3	A'	1125	1073	82.43	55.55	0.46	0.63

Atom	x (Å)	y (Å)
C1	0.059	0.787
O2	0.059	-0.479
H3	-0.832	-0.892

	C1	O2	H3
C1		1.2666	1.9016
O2	1.2666		0.9828
H3	1.9016	0.9828

Number	Element	Mulliken
1	C	-0.110
2	O	-0.192
3	H	0.302

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: mPW1PW91/TZVP

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
	-1.708	-2.245	0.000	2.821
CHELPG
AIM
ESP

	x	y	z
x	2.230	0.424	0.000
y	0.424	3.001	0.000
z	0.000	0.000	1.678

<r²>	14.576
(<r²>)^1/2	3.818