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	hartrees
Energy at 0K	-749.943733
Energy at 298.15K
HF Energy	-749.206529
Nuclear repulsion energy	202.415054

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3160	3160
2	A'	1444	1444
3	A'	1186	1186
4	A'	658	658
5	A'	539	539
6	A'	145	145
7	A"	3219	3219
8	A"	1101	1101
9	A"	769	769

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.084	0.000
Br2	1.886	0.708	0.000
I3	-1.237	-0.652	0.000
H4	-0.227	1.644	0.893
H5	-0.227	1.644	-0.893

	C1	Br2	I3	H4	H5
C1		1.9229	2.1321	1.0781	1.0781
Br2	1.9229		3.4060	2.4775	2.4775
I3	2.1321	3.4060		2.6629	2.6629
H4	1.0781	2.4775	2.6629		1.7855
H5	1.0781	2.4775	2.6629	1.7855

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.177	Br2	C1	H4	107.958
Br2	C1	H5	107.958	I3	C1	H4	107.508
I3	C1	H5	107.508	H4	C1	H5	111.809

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: CCSD(T)=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: CCSD(T)=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)