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	hartrees
Energy at 0K	-2909.043215
Energy at 298.15K
HF Energy	-2908.113419
Nuclear repulsion energy	262.755389

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3172	3172	0.98
2	A'	1457	1457	0.06
3	A'	1215	1215	75.83
4	A'	684	684	43.13
5	A'	552	552	1.85
6	A'	148	148	0.11
7	A"	3257	3257	2.13
8	A"	1125	1125
9	A"	784	784	5.41

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.078	0.000
Br2	1.884	0.698	0.000
I3	-1.235	-0.645	0.000
H4	-0.227	1.642	0.892
H5	-0.227	1.642	-0.892

	C1	Br2	I3	H4	H5
C1		1.9215	2.1194	1.0799	1.0799
Br2	1.9215		3.3953	2.4785	2.4785
I3	2.1194	3.3953		2.6532	2.6532
H4	1.0799	2.4785	2.6532		1.7848
H5	1.0799	2.4785	2.6532	1.7848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.242	Br2	C1	H4	108.034
Br2	C1	H5	108.034	I3	C1	H4	107.563
I3	C1	H5	107.563	H4	C1	H5	111.462

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: CCD/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: CCD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)