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	hartrees
Energy at 0K	-113.725114
Energy at 298.15K	-113.724944
HF Energy	-113.725114
Nuclear repulsion energy	25.152455

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'	3487	3487	8.07	293.90	0.32	0.49
2	A'	1301	1301	98.73	5.60	0.68	0.81
3	A'	1087	1087	168.17	14.71	0.63	0.77

Atom	x (Å)	y (Å)
C1	0.057	0.823
O2	0.057	-0.494
H3	-0.799	-0.985

	C1	O2	H3
C1		1.3179	2.0006
O2	1.3179		0.9864
H3	2.0006	0.9864

Number	Element	Mulliken
1	C	-0.004
2	O	-0.398
3	H	0.402

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: wB97X-D/SDD

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
	-1.996	-2.192	0.000	2.965
CHELPG
AIM
ESP

	x	y	z
x	1.750	0.386	0.000
y	0.386	2.733	0.000
z	0.000	0.000	1.373

<r²>	15.084
(<r²>)^1/2	3.884