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	hartrees
Energy at 0K	-3073.143791
Energy at 298.15K	-3073.149060
HF Energy	-3072.875077
Nuclear repulsion energy	217.063095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3161	3161	7.92
2	A'	1484	1484	0.24
3	A'	1303	1303	67.08
4	A'	741	741	110.61
5	A'	610	610	33.17
6	A'	231	231	0.15
7	A"	3245	3245	0.05
8	A"	1192	1192	0.09
9	A"	874	874	5.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.025	0.000
Br2	0.844	-0.731	0.000
Cl3	-1.776	0.961	0.000
H4	0.326	1.537	0.896
H5	0.326	1.537	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9478	1.7767	1.0826	1.0826
Br2	1.9478		3.1183	2.4930	2.4930
Cl3	1.7767	3.1183		2.3559	2.3559
H4	1.0826	2.4930	2.3559		1.7926
H5	1.0826	2.4930	2.3559	1.7926

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.621	Br2	C1	H4	107.232
Br2	C1	H5	107.232	Cl3	C1	H4	108.518
Cl3	C1	H5	108.518	H4	C1	H5	111.776

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-)