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	hartrees
Energy at 0K	-749.910537
Energy at 298.15K
HF Energy	-749.206535
Nuclear repulsion energy	203.038289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3215	0.59
2	A'	1469	1469	0.03
3	A'	1211	1211	74.92
4	A'	680	680	44.01
5	A'	552	552	1.53
6	A'	148	148	0.10
7	A"	3274	3274	2.73
8	A"	1123	1123	0.01
9	A"	781	781	5.43

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.079	0.000
Br2	1.880	0.707	0.000
I3	-1.233	-0.651	0.000
H4	-0.228	1.638	0.888
H5	-0.228	1.638	-0.888

	C1	Br2	I3	H4	H5
C1		1.9166	2.1246	1.0739	1.0739
Br2	1.9166		3.3969	2.4695	2.4695
I3	2.1246	3.3969		2.6535	2.6535
H4	1.0739	2.4695	2.6535		1.7761
H5	1.0739	2.4695	2.6535	1.7761

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.301	Br2	C1	H4	107.995
Br2	C1	H5	107.995	I3	C1	H4	107.523
I3	C1	H5	107.523	H4	C1	H5	111.568

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP3=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: MP3=FULL/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)