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	hartrees
Energy at 0K	-9487.350385
Energy at 298.15K
HF Energy	-9486.982991
Nuclear repulsion energy	458.273808

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3124	3002	1.50
2	A'	1501	1443	0.37
3	A'	1229	1182	74.24
4	A'	649	623	45.28
5	A'	529	509	4.45
6	A'	141	136	0.08
7	A"	3204	3080	0.66
8	A"	1131	1087	0.02
9	A"	790	760	7.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.134	0.000
Br2	1.913	0.724	0.000
I3	-1.255	-0.671	0.000
H4	-0.231	1.697	0.905
H5	-0.231	1.697	-0.905

	C1	Br2	I3	H4	H5
C1		1.9567	2.1982	1.0902	1.0902
Br2	1.9567		3.4612	2.5223	2.5223
I3	2.1982	3.4612		2.7334	2.7334
H4	1.0902	2.5223	2.7334		1.8099
H5	1.0902	2.5223	2.7334	1.8099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	112.695	Br2	C1	H4	108.375
Br2	C1	H5	108.375	I3	C1	H4	107.618
I3	C1	H5	107.618	H4	C1	H5	112.222

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: QCISD/3-21G*

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/3-21G*

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)