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	hartrees
Energy at 0K	-113.721284
Energy at 298.15K
HF Energy	-113.614733
Nuclear repulsion energy	25.916118

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'	3342	3342	28.59	450.20	0.33	0.50
2	A'	1399	1399	47.48	8.76	0.65	0.79
3	A'	1172	1172	102.10	35.39	0.47	0.64

Atom	x (Å)	y (Å)
C1	0.060	0.792
O2	0.060	-0.482
H3	-0.833	-0.892

	C1	O2	H3
C1		1.2737	1.9061
O2	1.2737		0.9826
H3	1.9061	0.9826

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP=FULLultrafine/6-311G*

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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