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	hartrees
Energy at 0K	-2683.912610
Energy at 298.15K	-2683.916584
HF Energy	-2683.377592
Nuclear repulsion energy	146.094147

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3107	2943	20.19
2	A'	1886	1786	336.71
3	A'	1368	1296	59.81
4	A'	693	656	151.14
5	A'	387	367	3.79
6	A"	952	901	2.48

Atom	x (Å)	y (Å)
C1	0.375	-1.174
O2	-0.463	-2.005
H3	1.456	-1.354
Br4	0.000	0.698

	C1	O2	H3	Br4
C1		1.1804	1.0961	1.9091
O2	1.1804		2.0264	2.7429
H3	1.0961	2.0264		2.5164
Br4	1.9091	2.7429	2.5164

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	125.737		O2	C1	Br4	123.465
H3	C1	Br4	110.798

All results from a given calculation for COHBr (Formyl bromide)

using model chemistry: CCD/6-31G(2df,p)

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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