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	hartrees
Energy at 0K	-113.786537
Energy at 298.15K	-113.786383
HF Energy	-113.786537
Nuclear repulsion energy	26.025672

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'	3462	3309	33.84	430.52	0.32	0.49
2	A'	1433	1370	86.92	10.12	0.60	0.75
3	A'	1143	1093	107.26	26.57	0.39	0.56

Atom	x (Å)	y (Å)
C1	0.060	0.788
O2	0.060	-0.480
H3	-0.833	-0.886

	C1	O2	H3
C1		1.2678	1.8967
O2	1.2678		0.9807
H3	1.8967	0.9807

Number	Element	Mulliken
1	C	-0.179
2	O	-0.106
3	H	0.285

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: M06-2X/aug-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
	-1.582	-2.196	0.000	2.706
CHELPG
AIM
ESP

	x	y	z
x	2.852	0.312	0.000
y	0.312	3.281	0.000
z	0.000	0.000	2.226

<r²>	14.654
(<r²>)^1/2	3.828