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	hartrees
Energy at 0K	-113.744338
Energy at 298.15K	-113.744184
HF Energy	-113.744338
Nuclear repulsion energy	25.986561

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'	3472	3307	24.85	319.74	0.32	0.48
2	A'	1449	1380	68.60	5.46	0.75	0.86
3	A'	1143	1088	96.60	21.15	0.45	0.62

Atom	x (Å)	y (Å)
C1	0.060	0.789
O2	0.060	-0.482
H3	-0.836	-0.880

	C1	O2	H3
C1		1.2705	1.8938
O2	1.2705		0.9805
H3	1.8938	0.9805

Number	Element	Mulliken
1	C	-0.117
2	O	-0.230
3	H	0.347

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: M06-2X/6-31G(2df,p)

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
	-1.578	-2.140	0.000	2.659
CHELPG
AIM
ESP

	x	y	z
x	1.887	0.361	0.000
y	0.361	2.540	0.000
z	0.000	0.000	1.549

<r²>	14.289
(<r²>)^1/2	3.780