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	hartrees
Energy at 0K	-112.237423
Energy at 298.15K	-112.237256
HF Energy	-112.237423
Nuclear repulsion energy	24.959229

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'	3460	3460	43.51	102.53	0.31	0.48
2	A'	1471	1471	18.75	7.68	0.44	0.61
3	A'	1205	1205	84.24	9.86	0.68	0.81

Atom	x (Å)	y (Å)
C1	0.064	0.818
O2	0.064	-0.502
H3	-0.891	-0.896

	C1	O2	H3
C1		1.3199	1.9626
O2	1.3199		1.0334
H3	1.9626	1.0334

Number	Element	Mulliken
1	C	-0.006
2	O	-0.210
3	H	0.217

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: M06-2X/STO-3G

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
	-1.456	-1.657	0.000	2.206
CHELPG
AIM
ESP

	x	y	z
x	0.976	0.427	0.000
y	0.427	1.489	0.000
z	0.000	0.000	0.619

<r²>	14.040
(<r²>)^1/2	3.747