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	hartrees
Energy at 0K	-113.713103
Energy at 298.15K	-113.712948
HF Energy	-113.713103
Nuclear repulsion energy	26.039478

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'	3369	3241	42.71	757.72	0.34	0.50
2	A'	1417	1363	51.57	26.49	0.51	0.67
3	A'	1137	1093	92.96	60.34	0.37	0.54

Atom	x (Å)	y (Å)
C1	0.060	0.787
O2	0.060	-0.480
H3	-0.834	-0.886

	C1	O2	H3
C1		1.2666	1.8966
O2	1.2666		0.9819
H3	1.8966	0.9819

Number	Element	Mulliken
1	C	-0.142
2	O	-0.074
3	H	0.215

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: HSEh1PBE/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
	-1.553	-2.259	0.000	2.742
CHELPG
AIM
ESP

	x	y	z
x	2.888	0.384	0.000
y	0.384	3.423	0.000
z	0.000	0.000	2.245

<r²>	14.635
(<r²>)^1/2	3.826