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	hartrees
Energy at 0K	-113.687199
Energy at 298.15K	-113.687045
HF Energy	-113.687199
Nuclear repulsion energy	26.018105

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'	3388	3251	41.64	519.28	0.33	0.49
2	A'	1428	1370	53.78	12.89	0.54	0.70
3	A'	1140	1093	85.35	41.75	0.46	0.63

Atom	x (Å)	y (Å)
C1	0.060	0.787
O2	0.060	-0.481
H3	-0.838	-0.878

	C1	O2	H3
C1		1.2682	1.8922
O2	1.2682		0.9819
H3	1.8922	0.9819

Number	Element	Mulliken
1	C	-0.089
2	O	-0.176
3	H	0.265

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBE1PBE/6-311G**

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
	-1.685	-2.223	0.000	2.789
CHELPG
AIM
ESP

	x	y	z
x	1.925	0.420	0.000
y	0.420	2.685	0.000
z	0.000	0.000	1.506

<r²>	14.451
(<r²>)^1/2	3.801