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	hartrees
Energy at 0K	-2909.244398
Energy at 298.15K
HF Energy	-2908.113234
Nuclear repulsion energy	264.288206

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'	3167	3167	0.50	92.27	0.05	0.10
2	A'	1441	1441	0.07	12.54	0.59	0.74
3	A'	1195	1195	72.16	1.47	0.26	0.41
4	A'	686	686	48.44	5.80	0.74	0.85
5	A'	557	557	2.55	15.03	0.11	0.20
6	A'	148	148	0.08	3.55	0.41	0.58
7	A"	3257	3257	3.70	44.08	0.75	0.86
8	A"	1119	1119	0.00	1.70	0.75	0.86
9	A"	778	778	6.09	0.83	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.075	0.000
Br2	1.873	0.686	0.000
I3	-1.228	-0.637	0.000
H4	-0.227	1.636	0.893
H5	-0.227	1.636	-0.893

	C1	Br2	I3	H4	H5
C1		1.9129	2.1068	1.0785	1.0785
Br2	1.9129		3.3718	2.4719	2.4719
I3	2.1068	3.3718		2.6389	2.6389
H4	1.0785	2.4719	2.6389		1.7852
H5	1.0785	2.4719	2.6389	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	113.946	Br2	C1	H4	108.185
Br2	C1	H5	108.185	I3	C1	H4	107.440
I3	C1	H5	107.440	H4	C1	H5	111.708

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP2=FULL/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)