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	hartrees
Energy at 0K	-2909.047628
Energy at 298.15K
HF Energy	-2908.113430
Nuclear repulsion energy	262.502887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3168	3168	1.09
2	A'	1454	1454	0.10
3	A'	1209	1209	78.81
4	A'	675	675	47.09
5	A'	548	548	2.07
6	A'	147	147	0.11
7	A"	3252	3252	1.98
8	A"	1120	1120	0.00
9	A"	781	781	5.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.079	0.000
Br2	1.885	0.698	0.000
I3	-1.237	-0.645	0.000
H4	-0.227	1.642	0.893
H5	-0.227	1.642	-0.893

	C1	Br2	I3	H4	H5
C1		1.9236	2.1215	1.0800	1.0800
Br2	1.9236		3.3986	2.4801	2.4801
I3	2.1215	3.3986		2.6551	2.6551
H4	1.0800	2.4801	2.6551		1.7860
H5	1.0800	2.4801	2.6551	1.7860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.230	Br2	C1	H4	108.009
Br2	C1	H5	108.009	I3	C1	H4	107.555
I3	C1	H5	107.555	H4	C1	H5	111.546

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: CCSD/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: CCSD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)