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	hartrees
Energy at 0K	-3073.203644
Energy at 298.15K	-3073.208911
HF Energy	-3072.982596
Nuclear repulsion energy	218.070084

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3153	3014	4.27
2	A'	1469	1404	0.00
3	A'	1264	1208	53.32
4	A'	743	710	96.75
5	A'	614	586	30.20
6	A'	227	217	0.21
7	A"	3229	3086	0.38
8	A"	1161	1110	0.01
9	A"	864	826	2.63

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.024	0.000
Br2	0.841	-0.724	0.000
Cl3	-1.769	0.949	0.000
H4	0.324	1.533	0.895
H5	0.324	1.533	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9400	1.7709	1.0792	1.0792
Br2	1.9400		3.1005	2.4825	2.4825
Cl3	1.7709	3.1005		2.3499	2.3499
H4	1.0792	2.4825	2.3499		1.7902
H5	1.0792	2.4825	2.3499	1.7902

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.260	Br2	C1	H4	107.144
Br2	C1	H5	107.144	Cl3	C1	H4	108.635
Cl3	C1	H5	108.635	H4	C1	H5	112.078

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

using model chemistry: B2PLYP=FULL/cc-pVTZ

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/cc-pVTZ

States and conformations

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