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	hartrees
Energy at 0K	-113.013757
Energy at 298.15K
HF Energy	-112.950628
Nuclear repulsion energy	25.071449

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'	3072	3072	21.48	386.69	0.33	0.49
2	A'	1291	1291	7.38	7.93	0.73	0.84
3	A'	1105	1105	142.21	21.06	0.56	0.72

Atom	x (Å)	y (Å)
C1	0.060	0.821
O2	0.060	-0.496
H3	-0.840	-0.960

	C1	O2	H3
C1		1.3162	1.9947
O2	1.3162		1.0123
H3	1.9947	1.0123

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP=FULLultrafine/3-21G

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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