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	hartrees
Energy at 0K	-113.017318
Energy at 298.15K	-113.017125
HF Energy	-113.017318
Nuclear repulsion energy	25.003955

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'	2332	2311	475.05	860.00	0.33	0.50
2	A'	1225	1213	30.19	31.34	0.50	0.67
3	A'	980	971	54.59	195.79	0.39	0.56

Atom	x (Å)	y (Å)
C1	0.062	0.818
O2	0.062	-0.489
H3	-0.864	-0.997

	C1	O2	H3
C1		1.3069	2.0375
O2	1.3069		1.0559
H3	2.0375	1.0559

Number	Element	Mulliken
1	C	0.113
2	O	-0.453
3	H	0.340

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBEPBEultrafine/3-21G

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
	-1.710	-2.072	0.000	2.686
CHELPG
AIM
ESP

	x	y	z
x	1.747	0.833	0.000
y	0.833	2.978	0.000
z	0.000	0.000	1.127

<r²>	14.958
(<r²>)^1/2	3.868