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	hartrees
Energy at 0K	-113.665486
Energy at 298.15K	-113.665331
HF Energy	-113.665486
Nuclear repulsion energy	25.891291

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'	3345	3216	43.28	488.42	0.32	0.48
2	A'	1425	1370	49.97	10.93	0.58	0.74
3	A'	1141	1097	82.34	36.69	0.44	0.61

Atom	x (Å)	y (Å)
C1	0.061	0.790
O2	0.061	-0.484
H3	-0.849	-0.870

	C1	O2	H3
C1		1.2746	1.8934
O2	1.2746		0.9879
H3	1.8934	0.9879

Number	Element	Mulliken
1	C	-0.137
2	O	-0.042
3	H	0.179

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: PBE1PBE/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
	-1.626	-2.217	0.000	2.749
CHELPG
AIM
ESP

	x	y	z
x	1.807	0.420	0.000
y	0.420	2.582	0.000
z	0.000	0.000	1.420

<r²>	14.423
(<r²>)^1/2	3.798