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	hartrees
Energy at 0K	-5638.701726
Energy at 298.15K	-5638.708903
HF Energy	-5638.052873
Nuclear repulsion energy	583.108344

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3215	3037	3.68
2	A'	1238	1169	19.02
3	A'	786	742	97.88
4	A'	600	566	2.85
5	A'	293	276	0.06
6	A'	179	169	0.01
7	A"	1202	1135	28.32
8	A"	736	695	80.91
9	A"	208	197	0.12

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.591	0.000
H2	-1.148	1.180	0.000
Cl3	1.124	1.717	0.000
Br4	-0.236	-0.485	1.572
Br5	-0.236	-0.485	-1.572

	C1	H2	Cl3	Br4	Br5
C1		1.0854	1.7665	1.9048	1.9048
H2	1.0854		2.3344	2.4646	2.4646
Cl3	1.7665	2.3344		3.0285	3.0285
Br4	1.9048	2.4646	3.0285		3.1447
Br5	1.9048	2.4646	3.0285	3.1447

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.459	H2	C1	Br4	107.856
H2	C1	Br5	107.856	Cl3	C1	Br4	111.104
Cl3	C1	Br5	111.104	Br4	C1	Br5	111.273

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

using model chemistry: MP2/6-31G(2df,p)

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 CHClBr2 (Methane, dibromochloro-)

using model chemistry: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)