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	hartrees
Energy at 0K	-2909.048844
Energy at 298.15K
HF Energy	-2908.113428
Nuclear repulsion energy	262.399284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3165	1.17
2	A'	1453	1453	0.12
3	A'	1207	1207	79.82
4	A'	673	673	48.82
5	A'	547	547	2.15
6	A'	147	147	0.10
7	A"	3249	3249	1.87
8	A"	1118	1118	0.00
9	A"	781	781	5.27

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.079	0.000
Br2	1.886	0.698	0.000
I3	-1.237	-0.645	0.000
H4	-0.227	1.643	0.893
H5	-0.227	1.643	-0.893

	C1	Br2	I3	H4	H5
C1		1.9245	2.1224	1.0803	1.0803
Br2	1.9245		3.3999	2.4810	2.4810
I3	2.1224	3.3999		2.6560	2.6560
H4	1.0803	2.4810	2.6560		1.7867
H5	1.0803	2.4810	2.6560	1.7867

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.223	Br2	C1	H4	107.996
Br2	C1	H5	107.996	I3	C1	H4	107.556
I3	C1	H5	107.556	H4	C1	H5	111.578

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: QCISD/Def2TZVPP

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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All results from a given calculation for CH2BrI (bromoiodomethane)

using model chemistry: QCISD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)