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	hartrees
Energy at 0K	-2908.901851
Energy at 298.15K
HF Energy	-2908.113321
Nuclear repulsion energy	264.118263

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3269	3269	0.83
2	A'	1509	1509	0.04
3	A'	1261	1261	86.65
4	A'	709	709	50.06
5	A'	571	571	2.00
6	A'	154	154	0.13
7	A"	3354	3354	2.95
8	A"	1169	1169	0.00
9	A"	811	811	5.56

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.069	0.000
Br2	1.874	0.696	0.000
I3	-1.229	-0.642	0.000
H4	-0.226	1.631	0.885
H5	-0.226	1.631	-0.885

	C1	Br2	I3	H4	H5
C1		1.9109	2.1074	1.0719	1.0719
Br2	1.9109		3.3797	2.4629	2.4629
I3	2.1074	3.3797		2.6377	2.6377
H4	1.0719	2.4629	2.6377		1.7693
H5	1.0719	2.4629	2.6377	1.7693

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.419	Br2	C1	H4	107.993
Br2	C1	H5	107.993	I3	C1	H4	107.621
I3	C1	H5	107.621	H4	C1	H5	111.240

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: CISD/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: CISD/Def2TZVPP

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)