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	hartrees
Energy at 0K	-3071.355305
Energy at 298.15K
HF Energy	-3070.908722
Nuclear repulsion energy	217.890137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3160	3160	9.11
2	A'	1479	1479	1.07
3	A'	1311	1311	69.70
4	A'	783	783	88.76
5	A'	632	632	19.52
6	A'	237	237	0.16
7	A"	3235	3235	0.37
8	A"	1195	1195	0.07
9	A"	873	873	3.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.021	0.000
Br2	0.841	-0.726	0.000
Cl3	-1.769	0.954	0.000
H4	0.329	1.539	0.897
H5	0.329	1.539	-0.897

	C1	Br2	Cl3	H4	H5
C1		1.9390	1.7705	1.0864	1.0864
Br2	1.9390		3.1042	2.4893	2.4893
Cl3	1.7705	3.1042		2.3551	2.3551
H4	1.0864	2.4893	2.3551		1.7937
H5	1.0864	2.4893	2.3551	1.7937

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.535	Br2	C1	H4	107.352
Br2	C1	H5	107.352	Cl3	C1	H4	108.672
Cl3	C1	H5	108.672	H4	C1	H5	111.286

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

using model chemistry: CCSD/6-311G**

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: CCSD/6-311G**

States and conformations

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