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	hartrees
Energy at 0K	-3528.141153
Energy at 298.15K	-3528.145614
HF Energy	-3527.471016
Nuclear repulsion energy	398.377563

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3040	2.25
2	A'	1225	1157	28.25
3	A'	781	738	103.97
4	A'	639	604	6.94
5	A'	341	322	0.15
6	A'	231	218	0.16
7	A"	1258	1188	19.15
8	A"	806	761	122.12
9	A"	224	212	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.665	-0.117	0.000
H2	-1.581	0.465	0.000
Br3	0.805	1.093	0.000
Cl4	-0.665	-1.118	1.453
Cl5	-0.665	-1.118	-1.453

	C1	H2	Br3	Cl4	Cl5
C1		1.0854	1.9035	1.7646	1.7646
H2	1.0854		2.4672	2.3360	2.3360
Br3	1.9035	2.4672		3.0266	3.0266
Cl4	1.7646	2.3360	3.0266		2.9061
Cl5	1.7646	2.3360	3.0266	2.9061

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	108.129	H2	C1	Cl4	107.701
H2	C1	Cl5	107.701	Br3	C1	Cl4	111.144
Br3	C1	Cl5	111.144	Cl4	C1	Cl5	110.857

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)

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 CHBrCl2 (Methane, bromodichloro-)

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

States and conformations

All results from a given calculation for CHBrCl₂ (Methane, bromodichloro-)