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	hartrees
Energy at 0K	-3073.150499
Energy at 298.15K	-3073.155769
HF Energy	-3072.878068
Nuclear repulsion energy	217.146156

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3157	3157	6.83
2	A'	1465	1465	0.39
3	A'	1286	1286	66.62
4	A'	743	743	109.73
5	A'	611	611	32.23
6	A'	231	231	0.14
7	A"	3239	3239	0.00
8	A"	1175	1175	0.11
9	A"	864	864	5.05

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.024	0.000
Br2	0.844	-0.730	0.000
Cl3	-1.775	0.962	0.000
H4	0.326	1.535	0.898
H5	0.326	1.535	-0.898

	C1	Br2	Cl3	H4	H5
C1		1.9466	1.7761	1.0830	1.0830
Br2	1.9466		3.1175	2.4906	2.4906
Cl3	1.7761	3.1175		2.3556	2.3556
H4	1.0830	2.4906	2.3556		1.7954
H5	1.0830	2.4906	2.3556	1.7954

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.661	Br2	C1	H4	107.121
Br2	C1	H5	107.121	Cl3	C1	H4	108.512
Cl3	C1	H5	108.512	H4	C1	H5	111.976

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

using model chemistry: B2PLYP=FULL/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: B2PLYP=FULL/6-311G**

States and conformations

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