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	hartrees
Energy at 0K	-113.706041
Energy at 298.15K	-113.705871
HF Energy	-113.706041
Nuclear repulsion energy	25.822939

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'	2919	2883	271.10	1648.73	0.34	0.51
2	A'	1338	1322	8.05	87.87	0.43	0.60
3	A'	1059	1047	53.00	248.58	0.39	0.56

Atom	x (Å)	y (Å)
C1	0.060	0.792
O2	0.060	-0.480
H3	-0.847	-0.913

	C1	O2	H3
C1		1.2721	1.9313
O2	1.2721		1.0052
H3	1.9313	1.0052

Number	Element	Mulliken
1	C	-0.153
2	O	-0.069
3	H	0.221

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBEPBE/Def2TZVPP

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
	-1.489	-2.268	0.000	2.713
CHELPG
AIM
ESP

	x	y	z
x	2.641	0.673	0.000
y	0.673	3.632	0.000
z	0.000	0.000	1.930

<r²>	14.773
(<r²>)^1/2	3.844