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	hartrees
Energy at 0K	-113.751806
Energy at 298.15K	-113.751650
HF Energy	-113.751806
Nuclear repulsion energy	25.918083

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'	3339	3210	42.21	491.16	0.32	0.48
2	A'	1423	1368	52.59	11.34	0.57	0.73
3	A'	1133	1089	83.33	35.98	0.45	0.62

Atom	x (Å)	y (Å)
C1	0.060	0.790
O2	0.060	-0.483
H3	-0.846	-0.874

	C1	O2	H3
C1		1.2730	1.8946
O2	1.2730		0.9869
H3	1.8946	0.9869

Number	Element	Mulliken
1	C	-0.137
2	O	-0.042
3	H	0.179

All results from a given calculation for COH (Hydroxymethylidyne)

using model chemistry: B1B95/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
	-1.621	-2.205	0.000	2.736
CHELPG
AIM
ESP

	x	y	z
x	1.782	0.423	0.000
y	0.423	2.578	0.000
z	0.000	0.000	1.404

<r²>	14.378
(<r²>)^1/2	3.792