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	hartrees
Energy at 0K	-113.245099
Energy at 298.15K	-113.244959
HF Energy	-113.245099
Nuclear repulsion energy	26.238943

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'	3925	3551	86.75	117.05	0.25	0.40
2	A'	1491	1349	166.40	3.01	0.60	0.75
3	A'	1275	1153	124.09	4.26	0.39	0.56

Atom	x (Å)	y (Å)
C1	0.058	0.784
O2	0.058	-0.480
H3	-0.815	-0.862

	C1	O2	H3
C1		1.2643	1.8629
O2	1.2643		0.9525
H3	1.8629	0.9525

Number	Element	Mulliken
1	C	-0.362
2	O	-0.059
3	H	0.421

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: HF/daug-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
	-1.621	-2.039	0.000	2.605
CHELPG
AIM
ESP

	x	y	z
x	2.571	0.180	0.000
y	0.180	2.755	0.000
z	0.000	0.000	2.121

<r²>	14.454
(<r²>)^1/2	3.802