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	hartrees
Energy at 0K	-9434.001147
Energy at 298.15K
HF Energy	-9433.921185
Nuclear repulsion energy	458.994129

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'	3382	3006	0.89	37.05	0.14	0.24
2	A'	1673	1487	0.90	16.64	0.73	0.84
3	A'	1370	1218	79.94	1.59	0.74	0.85
4	A'	807	717	37.30	9.47	0.75	0.86
5	A'	605	538	7.24	12.79	0.18	0.30
6	A'	166	148	0.46	3.98	0.55	0.71
7	A"	3500	3111	0.59	31.21	0.75	0.86
8	A"	1285	1142	0.02	14.87	0.75	0.86
9	A"	860	764	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		1.9379	2.1526	1.1083	1.1083
Br2	1.9379		3.4809	2.5150	2.5150
I3	2.1526	3.4809		2.7074	2.7074
H4	1.1083	2.5150	2.7074		1.7904
H5	1.1083	2.5150	2.7074	1.7904

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	116.543	Br2	C1	H4	108.203
Br2	C1	H5	108.203	I3	C1	H4	107.919
I3	C1	H5	107.919	H4	C1	H5	107.751

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP2=FULL/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=FULL/STO-3G

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)