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	hartrees
Energy at 0K	-113.663766
Energy at 298.15K	-113.663595
HF Energy	-113.663766
Nuclear repulsion energy	25.649610

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'	2819	2803	281.70	1254.41	0.33	0.49
2	A'	1332	1324	8.92	65.95	0.42	0.59
3	A'	1048	1042	41.27	191.02	0.39	0.56

Atom	x (Å)	y (Å)
C1	0.062	0.796
O2	0.062	-0.484
H3	-0.863	-0.902

	C1	O2	H3
C1		1.2806	1.9333
O2	1.2806		1.0145
H3	1.9333	1.0145

Number	Element	Mulliken
1	C	-0.155
2	O	-0.007
3	H	0.162

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBEPBEultrafine/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
	-1.514	-2.214	0.000	2.682
CHELPG
AIM
ESP

	x	y	z
x	1.985	0.682	0.000
y	0.682	3.036	0.000
z	0.000	0.000	1.424

<r²>	14.593
(<r²>)^1/2	3.820