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	hartrees
Energy at 0K	-113.649325
Energy at 298.15K	-113.649171
HF Energy	-113.649325
Nuclear repulsion energy	25.846454

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'	3288	3134	45.68	487.13	0.32	0.49
2	A'	1425	1358	43.85	11.01	0.62	0.77
3	A'	1153	1099	88.58	45.03	0.44	0.61

Atom	x (Å)	y (Å)
C1	0.060	0.793
O2	0.060	-0.483
H3	-0.842	-0.889

	C1	O2	H3
C1		1.2761	1.9088
O2	1.2761		0.9897
H3	1.9088	0.9897

Number	Element	Mulliken
1	C	-0.001
2	O	-0.428
3	H	0.429

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBE1PBE/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
	-1.689	-2.124	0.000	2.714
CHELPG
AIM
ESP

	x	y	z
x	1.754	0.441	0.000
y	0.441	2.530	0.000
z	0.000	0.000	1.334

<r²>	14.363
(<r²>)^1/2	3.790