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	hartrees
Energy at 0K	-9434.000680
Energy at 298.15K
HF Energy	-9433.921172
Nuclear repulsion energy	458.966604

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'	3381	2948	0.89	37.07	0.14	0.24
2	A'	1673	1459	0.90	16.64	0.73	0.84
3	A'	1370	1194	79.99	1.59	0.74	0.85
4	A'	807	704	37.32	9.48	0.75	0.86
5	A'	605	528	7.24	12.79	0.18	0.30
6	A'	166	145	0.46	3.98	0.55	0.71
7	A"	3499	3051	0.59	31.22	0.75	0.86
8	A"	1284	1120	0.02	14.88	0.75	0.86
9	A"	860	750	0.00	2.36	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.065	0.000
Br2	1.914	0.759	0.000
I3	-1.254	-0.685	0.000
H4	-0.254	1.667	0.895
H5	-0.254	1.667	-0.895

	C1	Br2	I3	H4	H5
C1		1.9380	2.1527	1.1084	1.1084
Br2	1.9380		3.4811	2.5152	2.5152
I3	2.1527	3.4811		2.7076	2.7076
H4	1.1084	2.5152	2.7076		1.7907
H5	1.1084	2.5152	2.7076	1.7907

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	116.536	Br2	C1	H4	108.202
Br2	C1	H5	108.202	I3	C1	H4	107.919
I3	C1	H5	107.919	H4	C1	H5	107.762

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP2/STO-3G

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/STO-3G

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)