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	hartrees
Energy at 0K	-749.837629
Energy at 298.15K
HF Energy	-749.206467
Nuclear repulsion energy	202.504595

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3016	1.24
2	A'	1451	1385	0.15
3	A'	1204	1149	80.16
4	A'	673	642	47.39
5	A'	548	523	1.77
6	A'	147	140	0.10
7	A"	3243	3094	1.81
8	A"	1113	1062	0.01
9	A"	781	745	5.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.082	0.000
Br2	1.885	0.706	0.000
I3	-1.236	-0.651	0.000
H4	-0.228	1.646	0.893
H5	-0.228	1.646	-0.893

	C1	Br2	I3	H4	H5
C1		1.9224	2.1293	1.0808	1.0808
Br2	1.9224		3.4041	2.4793	2.4793
I3	2.1293	3.4041		2.6635	2.6635
H4	1.0808	2.4793	2.6635		1.7868
H5	1.0808	2.4793	2.6635	1.7868

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.219	Br2	C1	H4	107.989
Br2	C1	H5	107.989	I3	C1	H4	107.602
I3	C1	H5	107.602	H4	C1	H5	111.499

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: CCSD/cc-pVTZ-PP

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: CCSD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)