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	hartrees
Energy at 0K	-749.814070
Energy at 298.15K
HF Energy	-749.206366
Nuclear repulsion energy	203.288571

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3159	3159	0.66	87.83	0.06	0.11
2	A'	1439	1439	0.11	10.87	0.61	0.76
3	A'	1191	1191	73.09	1.05	0.15	0.25
4	A'	678	678	49.40	5.11	0.75	0.86
5	A'	555	555	2.00	15.42	0.09	0.17
6	A'	147	147	0.07	3.72	0.38	0.56
7	A"	3247	3247	3.13	43.69	0.75	0.86
8	A"	1108	1108	0.01	2.22	0.75	0.86
9	A"	780	780	5.66	0.99	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.082	0.000
Br2	1.877	0.701	0.000
I3	-1.231	-0.648	0.000
H4	-0.229	1.645	0.895
H5	-0.229	1.645	-0.895

	C1	Br2	I3	H4	H5
C1		1.9150	2.1226	1.0817	1.0817
Br2	1.9150		3.3878	2.4746	2.4746
I3	2.1226	3.3878		2.6570	2.6570
H4	1.0817	2.4746	2.6570		1.7900
H5	1.0817	2.4746	2.6570	1.7900

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	113.980	Br2	C1	H4	108.087
Br2	C1	H5	108.087	I3	C1	H4	107.543
I3	C1	H5	107.543	H4	C1	H5	111.666

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP2/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: MP2/cc-pVTZ-PP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)