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	hartrees
Energy at 0K	-3068.417437
Energy at 298.15K	-3068.422618
HF Energy	-3068.220643
Nuclear repulsion energy	210.907761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3165	3037	5.20
2	A'	1489	1428	0.08
3	A'	1288	1236	46.00
4	A'	675	648	68.13
5	A'	570	547	13.96
6	A'	215	206	0.42
7	A"	3260	3128	0.36
8	A"	1159	1112	0.01
9	A"	852	818	4.16

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.063	0.000
Br2	0.888	-0.722	0.000
Cl3	-1.862	0.926	0.000
H4	0.295	1.585	0.909
H5	0.295	1.585	-0.909

	C1	Br2	Cl3	H4	H5
C1		1.9936	1.8673	1.0891	1.0891
Br2	1.9936		3.2059	2.5497	2.5497
Cl3	1.8673	3.2059		2.4320	2.4320
H4	1.0891	2.5497	2.4320		1.8183
H5	1.0891	2.5497	2.4320	1.8183

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.231	Br2	C1	H4	107.978
Br2	C1	H5	107.978	Cl3	C1	H4	107.775
Cl3	C1	H5	107.775	H4	C1	H5	113.185

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

using model chemistry: CCD/6-31G

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 CH2BrCl (Methane, bromochloro-)

using model chemistry: CCD/6-31G

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)