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	hartrees
Energy at 0K	-113.700216
Energy at 298.15K	-113.700047
HF Energy	-113.700216
Nuclear repulsion energy	25.794994

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'	2907	2887	268.25	1528.31	0.33	0.49
2	A'	1337	1328	7.06	80.00	0.42	0.59
3	A'	1060	1052	51.97	223.89	0.38	0.55

Atom	x (Å)	y (Å)
C1	0.061	0.793
O2	0.061	-0.481
H3	-0.849	-0.910

	C1	O2	H3
C1		1.2737	1.9304
O2	1.2737		1.0059
H3	1.9304	1.0059

Number	Element	Mulliken
1	C	-0.161
2	O	-0.044
3	H	0.205

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBEPBEultrafine/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
	-1.485	-2.250	0.000	2.696
CHELPG
AIM
ESP

	x	y	z
x	2.408	0.666	0.000
y	0.666	3.425	0.000
z	0.000	0.000	1.808

<r²>	14.699
(<r²>)^1/2	3.834