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	hartrees
Energy at 0K	-9487.322698
Energy at 298.15K
HF Energy	-9486.983278
Nuclear repulsion energy	459.844079

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'	3168	3013	0.46	74.56	0.09	0.17
2	A'	1519	1445	0.52	17.36	0.72	0.84
3	A'	1241	1181	79.07	1.89	0.33	0.49
4	A'	656	624	54.71	6.91	0.75	0.86
5	A'	538	511	6.80	15.95	0.14	0.24
6	A'	143	136	0.06	4.36	0.44	0.62
7	A"	3254	3096	1.84	51.07	0.75	0.86
8	A"	1143	1087	0.02	8.64	0.75	0.86
9	A"	803	764	7.45	2.53	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.133	0.000
Br2	1.906	0.722	0.000
I3	-1.250	-0.669	0.000
H4	-0.231	1.691	0.904
H5	-0.231	1.691	-0.904

	C1	Br2	I3	H4	H5
C1		1.9498	2.1927	1.0873	1.0873
Br2	1.9498		3.4485	2.5150	2.5150
I3	2.1927	3.4485		2.7245	2.7245
H4	1.0873	2.5150	2.7245		1.8079
H5	1.0873	2.5150	2.7245	1.8079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	112.573	Br2	C1	H4	108.443
Br2	C1	H5	108.443	I3	C1	H4	107.485
I3	C1	H5	107.485	H4	C1	H5	112.478

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)