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	hartrees
Energy at 0K	-3530.854527
Energy at 298.15K
HF Energy	-3529.814098
Nuclear repulsion energy	394.418183

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3245	3245	0.07
2	A'	1261	1261	39.62
3	A'	773	773	109.30
4	A'	626	626	13.02
5	A'	347	347	0.11
6	A'	235	235	0.01
7	A"	1319	1319	23.94
8	A"	822	822	130.44
9	A"	228	228	0.05

Atom	x (Å)	y (Å)	z (Å)
C1	-0.667	-0.144	0.000
H2	-1.575	0.444	0.000
Br3	0.807	1.117	0.000
Cl4	-0.667	-1.138	1.460
Cl5	-0.667	-1.138	-1.460

	C1	H2	Br3	Cl4	Cl5
C1		1.0818	1.9399	1.7660	1.7660
H2	1.0818		2.4749	2.3362	2.3362
Br3	1.9399	2.4749		3.0641	3.0641
Cl4	1.7660	2.3362	3.0641		2.9202
Cl5	1.7660	2.3362	3.0641	2.9202

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.491	H2	C1	Cl4	107.814
H2	C1	Cl5	107.814	Br3	C1	Cl4	111.457
Br3	C1	Cl5	111.457	Cl4	C1	Cl5	111.539

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

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

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