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	hartrees
Energy at 0K	-113.738769
Energy at 298.15K	-113.738598
HF Energy	-113.738769
Nuclear repulsion energy	25.199355

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'	3136	3017	52.37	613.42	0.33	0.50
2	A'	1278	1229	28.70	10.83	0.61	0.76
3	A'	1092	1050	138.88	40.66	0.49	0.66

Atom	x (Å)	y (Å)
C1	0.058	0.820
O2	0.058	-0.491
H3	-0.809	-0.988

	C1	O2	H3
C1		1.3107	2.0050
O2	1.3107		0.9991
H3	2.0050	0.9991

Number	Element	Mulliken
1	C	0.105
2	O	-0.495
3	H	0.390

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B3LYP/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
	-1.891	-1.973	0.000	2.733
CHELPG
AIM
ESP

	x	y	z
x	1.676	0.543	0.000
y	0.543	2.745	0.000
z	0.000	0.000	1.224

<r²>	14.878
(<r²>)^1/2	3.857