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	hartrees
Energy at 0K	-113.703337
Energy at 298.15K	-113.703166
HF Energy	-113.703337
Nuclear repulsion energy	25.805019

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'	2905	2873	321.58	2541.34	0.35	0.52
2	A'	1332	1317	6.83	186.54	0.42	0.59
3	A'	1052	1040	53.20	416.67	0.37	0.54

Atom	x (Å)	y (Å)
C1	0.060	0.793
O2	0.060	-0.480
H3	-0.847	-0.915

	C1	O2	H3
C1		1.2729	1.9335
O2	1.2729		1.0060
H3	1.9335	1.0060

Number	Element	Mulliken
1	C	-0.132
2	O	-0.072
3	H	0.204

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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
	-1.457	-2.236	0.000	2.669
CHELPG
AIM
ESP

	x	y	z
x	3.260	0.750	0.000
y	0.750	4.188	0.000
z	0.000	0.000	2.349

<r²>	14.886
(<r²>)^1/2	3.858