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	hartrees
Energy at 0K	-113.692052
Energy at 298.15K
HF Energy	-113.599012
Nuclear repulsion energy	25.765552

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'	3388	3247	28.60	353.81	0.31	0.48
2	A'	1397	1338	51.00	5.73	0.75	0.85
3	A'	1143	1095	93.05	24.34	0.47	0.64

Atom	x (Å)	y (Å)
C1	0.061	0.795
O2	0.061	-0.488
H3	-0.851	-0.865

	C1	O2	H3
C1		1.2829	1.8937
O2	1.2829		0.9869
H3	1.8937	0.9869

Number	Element	Mulliken
1	C	-0.133
2	O	-0.046
3	H	0.179

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B2PLYP=FULLultrafine/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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	x	y	z	Total
	-1.640	-2.195	0.000	2.740
CHELPG
AIM
ESP

	x	y	z
x	1.775	0.392	0.000
y	0.392	2.556	-0.000
z	0.000	-0.000	1.401

<r²>	14.525
(<r²>)^1/2	3.811