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	hartrees
Energy at 0K	-3513.836983
Energy at 298.15K
HF Energy	-3513.280208
Nuclear repulsion energy	391.726182

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3237	3237	0.44
2	A'	1258	1258	28.15
3	A'	730	730	100.47
4	A'	618	618	6.81
5	A'	330	330	0.27
6	A'	228	228	0.22
7	A"	1304	1304	16.32
8	A"	738	738	113.83
9	A"	220	220	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.691	-0.114	0.000
H2	-1.590	0.490	0.000
Br3	0.835	1.101	0.000
Cl4	-0.691	-1.128	1.475
Cl5	-0.691	-1.128	-1.475

	C1	H2	Br3	Cl4	Cl5
C1		1.0834	1.9501	1.7898	1.7898
H2	1.0834		2.5005	2.3668	2.3668
Br3	1.9501	2.5005		3.0772	3.0772
Cl4	1.7898	2.3668	3.0772		2.9501
Cl5	1.7898	2.3668	3.0772	2.9501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	107.578	H2	C1	Cl4	108.407
H2	C1	Cl5	108.407	Br3	C1	Cl4	110.662
Br3	C1	Cl5	110.662	Cl4	C1	Cl5	111.007

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

using model chemistry: MP3=FULL/3-21G*

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: MP3=FULL/3-21G*

States and conformations

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