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	hartrees
Energy at 0K	-2909.258916
Energy at 298.15K
HF Energy	-2908.113396
Nuclear repulsion energy	262.438308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3129	3129
2	A'	1430	1430
3	A'	1183	1183
4	A'	661	661
5	A'	539	539
6	A'	145	145
7	A"	3217	3217
8	A"	1102	1102
9	A"	766	766

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.081	0.000
Br2	1.887	0.692	0.000
I3	-1.238	-0.642	0.000
H4	-0.226	1.643	0.895
H5	-0.226	1.643	-0.895

	C1	Br2	I3	H4	H5
C1		1.9266	2.1208	1.0810	1.0810
Br2	1.9266		3.3976	2.4841	2.4841
I3	2.1208	3.3976		2.6541	2.6541
H4	1.0810	2.4841	2.6541		1.7900
H5	1.0810	2.4841	2.6541	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.077	Br2	C1	H4	108.046
Br2	C1	H5	108.046	I3	C1	H4	107.485
I3	C1	H5	107.485	H4	C1	H5	111.773

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP4=FULL/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: MP4=FULL/Def2TZVPP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)