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	hartrees
Energy at 0K	-113.729901
Energy at 298.15K
HF Energy	-113.621381
Nuclear repulsion energy	25.907842

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'	3431	3431	26.63	364.65	0.32	0.49
2	A'	1401	1401	54.15	6.26	0.72	0.84
3	A'	1142	1142	96.34	27.63	0.49	0.66

Atom	x (Å)	y (Å)
C1	0.060	0.791
O2	0.060	-0.485
H3	-0.842	-0.870

	C1	O2	H3
C1		1.2756	1.8904
O2	1.2756		0.9808
H3	1.8904	0.9808

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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