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	hartrees
Energy at 0K	-113.680617
Energy at 298.15K
HF Energy	-113.588416
Nuclear repulsion energy	25.746150

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'	3430	3430	20.62	339.95	0.32	0.48
2	A'	1399	1399	51.03	5.90	0.75	0.86
3	A'	1137	1137	101.11	27.37	0.47	0.64

Atom	x (Å)	y (Å)
C1	0.060	0.797
O2	0.060	-0.487
H3	-0.841	-0.882

	C1	O2	H3
C1		1.2844	1.9053
O2	1.2844		0.9837
H3	1.9053	0.9837

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP=FULLultrafine/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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