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	hartrees
Energy at 0K	-3530.855611
Energy at 298.15K
HF Energy	-3529.955715
Nuclear repulsion energy	398.360963

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3199	3034	2.47
2	A'	1218	1155	29.90
3	A'	769	729	107.84
4	A'	633	600	11.39
5	A'	339	322	0.13
6	A'	228	217	0.04
7	A"	1250	1186	17.12
8	A"	807	765	120.53
9	A"	221	210	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.668	-0.126	0.000
H2	-1.571	0.470	0.000
Br3	0.809	1.095	0.000
Cl4	-0.668	-1.119	1.448
Cl5	-0.668	-1.119	-1.448

	C1	H2	Br3	Cl4	Cl5
C1		1.0810	1.9159	1.7557	1.7557
H2	1.0810		2.4602	2.3309	2.3309
Br3	1.9159	2.4602		3.0294	3.0294
Cl4	1.7557	2.3309	3.0294		2.8955
Cl5	1.7557	2.3309	3.0294	2.8955

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.034	H2	C1	Cl4	108.144
H2	C1	Cl5	108.144	Br3	C1	Cl4	111.121
Br3	C1	Cl5	111.121	Cl4	C1	Cl5	111.098

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

using model chemistry: MP2/cc-pVQZ

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/cc-pVQZ

States and conformations

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