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	hartrees
Energy at 0K	-113.686642
Energy at 298.15K	-113.686487
HF Energy	-113.686642
Nuclear repulsion energy	25.893064

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'	3384	3256	38.72	675.29	0.33	0.50
2	A'	1401	1348	56.67	20.07	0.55	0.71
3	A'	1140	1097	89.29	54.54	0.39	0.56

Atom	x (Å)	y (Å)
C1	0.060	0.791
O2	0.060	-0.484
H3	-0.841	-0.879

	C1	O2	H3
C1		1.2752	1.8981
O2	1.2752		0.9842
H3	1.8981	0.9842

Number	Element	Mulliken
1	C	-0.023
2	O	-0.146
3	H	0.169

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: HSEh1PBE/aug-cc-pVDZ

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
	-1.570	-2.206	0.000	2.708
CHELPG
AIM
ESP

	x	y	z
x	2.807	0.376	0.000
y	0.376	3.377	0.000
z	0.000	0.000	2.175

<r²>	14.732
(<r²>)^1/2	3.838