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	hartrees
Energy at 0K	-113.697812
Energy at 298.15K	-113.697655
HF Energy	-113.697812
Nuclear repulsion energy	26.027805

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'	3352	3216	44.96	668.98	0.34	0.50
2	A'	1422	1365	59.16	22.08	0.50	0.66
3	A'	1121	1076	80.53	60.32	0.45	0.62

Atom	x (Å)	y (Å)
C1	0.060	0.787
O2	0.060	-0.479
H3	-0.834	-0.893

	C1	O2	H3
C1		1.2663	1.9026
O2	1.2663		0.9843
H3	1.9026	0.9843

Number	Element	Mulliken
1	C	-0.114
2	O	-0.187
3	H	0.301

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBE1PBE/TZVP

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
	-1.709	-2.257	0.000	2.832
CHELPG
AIM
ESP

	x	y	z
x	2.247	0.434	0.000
y	0.434	3.027	0.000
z	0.000	0.000	1.685

<r²>	14.601
(<r²>)^1/2	3.821