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	hartrees
Energy at 0K	-3530.741136
Energy at 298.15K
HF Energy	-3529.881438
Nuclear repulsion energy	396.406862

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3254	3254	1.39
2	A'	1232	1232	32.51
3	A'	771	771	102.17
4	A'	629	629	9.69
5	A'	339	339	0.16
6	A'	228	228	0.07
7	A"	1266	1266	18.72
8	A"	811	811	114.81
9	A"	221	221	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.668	-0.135	0.000
H2	-1.568	0.455	0.000
Br3	0.808	1.106	0.000
Cl4	-0.668	-1.128	1.454
Cl5	-0.668	-1.128	-1.454

	C1	H2	Br3	Cl4	Cl5
C1		1.0762	1.9280	1.7609	1.7609
H2	1.0762		2.4641	2.3303	2.3303
Br3	1.9280	2.4641		3.0468	3.0468
Cl4	1.7609	2.3303	3.0468		2.9078
Cl5	1.7609	2.3303	3.0468	2.9078

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.748	H2	C1	Cl4	107.997
H2	C1	Cl5	107.997	Br3	C1	Cl4	111.284
Br3	C1	Cl5	111.284	Cl4	C1	Cl5	111.311

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

using model chemistry: MP3/Def2TZVPP

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/Def2TZVPP

States and conformations

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