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	hartrees
Energy at 0K	-2686.580499
Energy at 298.15K	-2686.584424
HF Energy	-2685.694589
Nuclear repulsion energy	143.648818

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3109	2944	28.14
2	A'	1823	1727	385.90
3	A'	1352	1280	75.29
4	A'	657	622	185.31
5	A'	365	346	18.32
6	A"	923	874	4.14

Atom	x (Å)	y (Å)
C1	0.376	-1.206
O2	-0.465	-2.040
H3	1.461	-1.365
Br4	0.000	0.712

	C1	O2	H3	Br4
C1		1.1849	1.0964	1.9542
O2	1.1849		2.0408	2.7914
H3	1.0964	2.0408		2.5390
Br4	1.9542	2.7914	2.5390

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	126.870		O2	C1	Br4	123.698
H3	C1	Br4	109.432

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

using model chemistry: MP2=FULL/6-311G*

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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