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	hartrees
Energy at 0K	-113.659645
Energy at 298.15K	-113.659490
HF Energy	-113.659645
Nuclear repulsion energy	25.842149

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'	3275	3115	48.13	499.29	0.32	0.49
2	A'	1421	1351	42.45	11.48	0.62	0.76
3	A'	1152	1095	88.11	46.71	0.44	0.61

Atom	x (Å)	y (Å)
C1	0.060	0.793
O2	0.060	-0.483
H3	-0.842	-0.890

	C1	O2	H3
C1		1.2762	1.9096
O2	1.2762		0.9899
H3	1.9096	0.9899

Number	Element	Mulliken
1	C	-0.000
2	O	-0.427
3	H	0.427

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: HSEh1PBE/6-31G*

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
	-1.687	-2.119	0.000	2.708
CHELPG
AIM
ESP

	x	y	z
x	1.759	0.446	0.000
y	0.446	2.536	0.000
z	0.000	0.000	1.335

<r²>	14.364
(<r²>)^1/2	3.790