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	hartrees
Energy at 0K	-113.799145
Energy at 298.15K	-113.798992
HF Energy	-113.799145
Nuclear repulsion energy	26.074703

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'	3495	3495	29.14	383.22	0.31	0.47
2	A'	1430	1430	71.55	6.03	0.72	0.84
3	A'	1156	1156	104.87	23.78	0.41	0.59

Atom	x (Å)	y (Å)
C1	0.059	0.786
O2	0.059	-0.480
H3	-0.831	-0.879

	C1	O2	H3
C1		1.2665	1.8885
O2	1.2665		0.9760
H3	1.8885	0.9760

Number	Element	Mulliken
1	C	-0.079
2	O	-0.191
3	H	0.270

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: wB97X-D/cc-pVQZ

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
	-1.583	-2.291	0.000	2.784
CHELPG
AIM
ESP

	x	y	z
x	2.445	0.314	0.000
y	0.314	3.037	0.000
z	0.000	0.000	2.008

<r²>	14.510
(<r²>)^1/2	3.809