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	hartrees
Energy at 0K	-113.708531
Energy at 298.15K
HF Energy	-113.610042
Nuclear repulsion energy	25.739610

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'	3417	3288	25.41	427.67	0.31	0.47
2	A'	1365	1314	61.87	7.83	0.74	0.85
3	A'	1140	1097	103.33	29.97	0.41	0.58

Atom	x (Å)	y (Å)
C1	0.060	0.797
O2	0.060	-0.488
H3	-0.844	-0.876

	C1	O2	H3
C1		1.2849	1.9020
O2	1.2849		0.9842
H3	1.9020	0.9842

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP=FULLultrafine/aug-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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