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	hartrees
Energy at 0K	-2909.076715
Energy at 298.15K
HF Energy	-2908.113374
Nuclear repulsion energy	261.744275

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3141	3141
2	A'	1434	1434
3	A'	1186	1186
4	A'	655	655
5	A'	536	536
6	A'	144	144
7	A"	3227	3227
8	A"	1100	1100
9	A"	770	770

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.083	0.000
Br2	1.891	0.699	0.000
I3	-1.240	-0.646	0.000
H4	-0.225	1.646	0.896
H5	-0.225	1.646	-0.896

	C1	Br2	I3	H4	H5
C1		1.9299	2.1283	1.0823	1.0823
Br2	1.9299		3.4079	2.4863	2.4863
I3	2.1283	3.4079		2.6626	2.6626
H4	1.0823	2.4863	2.6626		1.7928
H5	1.0823	2.4863	2.6626	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.140	Br2	C1	H4	107.930
Br2	C1	H5	107.930	I3	C1	H4	107.538
I3	C1	H5	107.538	H4	C1	H5	111.843

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: QCISD(T)/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: QCISD(T)/Def2TZVPP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)