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	hartrees
Energy at 0K	-113.779695
Energy at 298.15K	-113.779539
HF Energy	-113.779695
Nuclear repulsion energy	26.027442

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'	3447	3262	32.12	398.35	0.33	0.50
2	A'	1440	1363	96.20	9.59	0.61	0.76
3	A'	1125	1064	91.23	30.94	0.51	0.67

Atom	x (Å)	y (Å)
C1	0.059	0.788
O2	0.059	-0.479
H3	-0.832	-0.894

	C1	O2	H3
C1		1.2667	1.9034
O2	1.2667		0.9831
H3	1.9034	0.9831

Number	Element	Mulliken
1	C	-0.076
2	O	-0.245
3	H	0.321

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: M06-2X/TZVP

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
	-1.732	-2.193	0.000	2.795
CHELPG
AIM
ESP

	x	y	z
x	2.236	0.374	0.000
y	0.374	2.940	0.000
z	0.000	0.000	1.673

<r²>	14.626
(<r²>)^1/2	3.824