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	hartrees
Energy at 0K	-5637.594706
Energy at 298.15K	-5637.601668
HF Energy	-5637.379088
Nuclear repulsion energy	558.511114

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3259	3118	0.13
2	A'	1239	1186	21.92
3	A'	681	652	102.12
4	A'	533	510	4.59
5	A'	265	253	0.12
6	A'	164	157	0.04
7	A"	1205	1153	34.91
8	A"	644	616	88.72
9	A"	192	184	0.20

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.612	0.000
H2	-1.159	1.204	0.000
Cl3	1.185	1.798	0.000
Br4	-0.250	-0.506	1.640
Br5	-0.250	-0.506	-1.640

	C1	H2	Cl3	Br4	Br5
C1		1.0854	1.8616	1.9843	1.9843
H2	1.0854		2.4179	2.5379	2.5379
Cl3	1.8616	2.4179		3.1710	3.1710
Br4	1.9843	2.5379	3.1710		3.2792
Br5	1.9843	2.5379	3.1710	3.2792

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.308	H2	C1	Br4	107.918
H2	C1	Br5	107.918	Cl3	C1	Br4	111.036
Cl3	C1	Br5	111.036	Br4	C1	Br5	111.432

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

using model chemistry: MP2/6-31G

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

States and conformations

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