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	hartrees
Energy at 0K	-3527.874267
Energy at 298.15K
HF Energy	-3527.278240
Nuclear repulsion energy	394.538667

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3300	3300	0.08
2	A'	1256	1256	39.46
3	A'	773	773	100.61
4	A'	622	622	18.92
5	A'	346	346	0.44
6	A'	233	233	0.03
7	A"	1319	1319	26.34
8	A"	836	836	117.18
9	A"	228	228	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.676	-0.144	0.000
H2	-1.568	0.462	0.000
Br3	0.818	1.108	0.000
Cl4	-0.676	-1.129	1.460
Cl5	-0.676	-1.129	-1.460

	C1	H2	Br3	Cl4	Cl5
C1		1.0779	1.9492	1.7614	1.7614
H2	1.0779		2.4717	2.3363	2.3363
Br3	1.9492	2.4717		3.0611	3.0611
Cl4	1.7614	2.3363	3.0611		2.9195
Cl5	1.7614	2.3363	3.0611	2.9195

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	105.858	H2	C1	Cl4	108.323
H2	C1	Cl5	108.323	Br3	C1	Cl4	111.067
Br3	C1	Cl5	111.067	Cl4	C1	Cl5	111.940

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

using model chemistry: MP3=FULL/6-31G**

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/6-31G**

States and conformations

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