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	hartrees
Energy at 0K	-1373.912729
Energy at 298.15K
HF Energy	-1372.987658
Nuclear repulsion energy	319.304117

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3273	3273	1.38
2	A'	1237	1237	32.97
3	A'	776	776	101.35
4	A'	630	630	9.94
5	A'	340	340	0.18
6	A'	229	229	0.09
7	A"	1275	1275	18.37
8	A"	819	819	113.83
9	A"	222	222	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	-0.666	-0.132	0.000
H2	-1.562	0.454	0.000
Br3	0.806	1.103	0.000
Cl4	-0.666	-1.125	1.453
Cl5	-0.666	-1.125	-1.453

	C1	H2	Br3	Cl4	Cl5
C1		1.0704	1.9216	1.7601	1.7601
H2	1.0704		2.4554	2.3253	2.3253
Br3	1.9216	2.4554		3.0402	3.0402
Cl4	1.7601	2.3253	3.0402		2.9063
Cl5	1.7601	2.3253	3.0402	2.9063

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.825	H2	C1	Cl4	107.987
H2	C1	Cl5	107.987	Br3	C1	Cl4	111.260
Br3	C1	Cl5	111.260	Cl4	C1	Cl5	111.306

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

using model chemistry: MP3=FULL/cc-pVTZ-PP

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/cc-pVTZ-PP

States and conformations

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