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	hartrees
Energy at 0K	-113.691176
Energy at 298.15K	-113.691017
HF Energy	-113.597057
Nuclear repulsion energy	25.748306

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'	3458	3289	30.53	290.38	0.33	0.50
2	A'	1388	1320	87.48	6.35	0.75	0.86
3	A'	1125	1070	102.55	20.58	0.51	0.67

Atom	x (Å)	y (Å)
C1	0.060	0.797
O2	0.060	-0.487
H3	-0.837	-0.890

	C1	O2	H3
C1		1.2841	1.9107
O2	1.2841		0.9832
H3	1.9107	0.9832

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP=FULL/6-31+G**

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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