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	hartrees
Energy at 0K	-749.949120
Energy at 298.15K
HF Energy	-749.206505
Nuclear repulsion energy	202.348331

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3147	3147
2	A'	1438	1438
3	A'	1180	1180
4	A'	656	656
5	A'	538	538
6	A'	144	144
7	A"	3209	3209
8	A"	1096	1096
9	A"	768	768

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.085	0.000
Br2	1.886	0.707	0.000
I3	-1.237	-0.652	0.000
H4	-0.227	1.646	0.894
H5	-0.227	1.646	-0.894

	C1	Br2	I3	H4	H5
C1		1.9238	2.1327	1.0793	1.0793
Br2	1.9238		3.4066	2.4793	2.4793
I3	2.1327	3.4066		2.6642	2.6642
H4	1.0793	2.4793	2.6642		1.7879
H5	1.0793	2.4793	2.6642	1.7879

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.135	Br2	C1	H4	107.966
Br2	C1	H5	107.966	I3	C1	H4	107.505
I3	C1	H5	107.505	H4	C1	H5	111.841

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP4=FULL/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: MP4=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)