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	hartrees
Energy at 0K	-749.838777
Energy at 298.15K
HF Energy	-749.206464
Nuclear repulsion energy	202.422441

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3158	3158	1.32
2	A'	1450	1450	0.19
3	A'	1202	1202	81.54
4	A'	670	670	49.53
5	A'	546	546	1.95
6	A'	147	147	0.09
7	A"	3240	3240	1.71
8	A"	1111	1111	0.01
9	A"	780	780	5.11

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.083	0.000
Br2	1.886	0.707	0.000
I3	-1.237	-0.651	0.000
H4	-0.228	1.647	0.894
H5	-0.228	1.647	-0.894

	C1	Br2	I3	H4	H5
C1		1.9233	2.1303	1.0810	1.0810
Br2	1.9233		3.4054	2.4802	2.4802
I3	2.1303	3.4054		2.6643	2.6643
H4	1.0810	2.4802	2.6643		1.7876
H5	1.0810	2.4802	2.6643	1.7876

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.205	Br2	C1	H4	107.986
Br2	C1	H5	107.986	I3	C1	H4	107.590
I3	C1	H5	107.590	H4	C1	H5	111.544

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: QCISD/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: QCISD/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)