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	hartrees
Energy at 0K	-48.671863
Energy at 298.15K	-48.676118
HF Energy	-48.483595
Nuclear repulsion energy	54.263435

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3210	3102	3.17
2	A'	1212	1171	50.34
3	A'	693	670	120.09
4	A'	570	551	11.59
5	A'	310	300	0.23
6	A'	212	205	0.22
7	A"	1221	1180	29.71
8	A"	721	696	115.38
9	A"	208	201	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.686	-0.136	0.000
H2	-1.624	0.441	0.000
Br3	0.831	1.172	0.000
Cl4	-0.686	-1.195	1.540
Cl5	-0.686	-1.195	-1.540

	C1	H2	Br3	Cl4	Cl5
C1		1.1016	2.0029	1.8688	1.8688
H2	1.1016		2.5616	2.4347	2.4347
Br3	2.0029	2.5616		3.2052	3.2052
Cl4	1.8688	2.4347	3.2052		3.0801
Cl5	1.8688	2.4347	3.2052	3.0801

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.627	H2	C1	Cl4	107.265
H2	C1	Cl5	107.265	Br3	C1	Cl4	111.713
Br3	C1	Cl5	111.713	Cl4	C1	Cl5	110.993

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

using model chemistry: MP2/CEP-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 CHBrCl2 (Methane, bromodichloro-)

using model chemistry: MP2/CEP-31G

States and conformations

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