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	hartrees
Energy at 0K	-3071.735392
Energy at 298.15K	-3071.740716
HF Energy	-3071.021488
Nuclear repulsion energy	220.946112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3034	2.50
2	A'	1485	1413	0.08
3	A'	1274	1212	46.55
4	A'	788	750	84.85
5	A'	656	624	16.33
6	A'	235	223	0.20
7	A"	3242	3085	1.99
8	A"	1181	1123	0.01
9	A"	876	833	2.49

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.012	0.000
Br2	0.834	-0.706	0.000
Cl3	-1.754	0.917	0.000
H4	0.317	1.526	0.893
H5	0.317	1.526	-0.893

	C1	Br2	Cl3	H4	H5
C1		1.9095	1.7568	1.0780	1.0780
Br2	1.9095		3.0547	2.4591	2.4591
Cl3	1.7568	3.0547		2.3365	2.3365
H4	1.0780	2.4591	2.3365		1.7852
H5	1.0780	2.4591	2.3365	1.7852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.788	Br2	C1	H4	107.513
Br2	C1	H5	107.513	Cl3	C1	H4	108.643
Cl3	C1	H5	108.643	H4	C1	H5	111.785

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

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVTZ

States and conformations

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