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	hartrees
Energy at 0K	-3073.143814
Energy at 298.15K
HF Energy	-3072.875101
Nuclear repulsion energy	217.069067

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	67.18
4	A'	742	742	111.25
5	A'	612	612	32.42
6	A'	231	231	0.15
7	A"	3245	3245	0.05
8	A"	1192	1192	0.09
9	A"	874	874	5.99

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.025	0.000
Br2	0.844	-0.730	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		1.9477	1.7767	1.0825	1.0825
Br2	1.9477		3.1182	2.4929	2.4929
Cl3	1.7767	3.1182		2.3559	2.3559
H4	1.0825	2.4929	2.3559		1.7925
H5	1.0825	2.4929	2.3559	1.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.620	Br2	C1	H4	107.235
Br2	C1	H5	107.235	Cl3	C1	H4	108.519
Cl3	C1	H5	108.519	H4	C1	H5	111.766

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

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

States and conformations

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