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	hartrees
Energy at 0K	-2672.977624
Energy at 298.15K	-2672.981487
HF Energy	-2672.702424
Nuclear repulsion energy	138.844148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3072	2978	39.19
2	A'	1707	1654	296.62
3	A'	1340	1299	84.99
4	A'	605	587	128.50
5	A'	338	328	9.34
6	A"	907	879	5.53

Atom	x (Å)	y (Å)
C1	0.387	-1.260
O2	-0.474	-2.114
H3	1.471	-1.399
Br4	0.000	0.739

	C1	O2	H3	Br4
C1		1.2129	1.0934	2.0358
O2	1.2129		2.0728	2.8921
H3	1.0934	2.0728		2.5953
Br4	2.0358	2.8921	2.5953

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	H3	127.914		O2	C1	Br4	123.819
H3	C1	Br4	108.267

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

using model chemistry: QCISD/3-21G

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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