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	hartrees
Energy at 0K	-3527.845483
Energy at 298.15K	-3527.849951
HF Energy	-3527.278234
Nuclear repulsion energy	395.140369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3262	3048	0.10
2	A'	1244	1162	39.69
3	A'	768	717	108.95
4	A'	623	582	21.63
5	A'	346	323	0.40
6	A'	234	218	0.01
7	A"	1308	1222	26.44
8	A"	829	774	128.68
9	A"	228	213	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	-0.676	-0.143	0.000
H2	-1.569	0.467	0.000
Br3	0.817	1.106	0.000
Cl4	-0.676	-1.127	1.458
Cl5	-0.676	-1.127	-1.458

	C1	H2	Br3	Cl4	Cl5
C1		1.0816	1.9466	1.7584	1.7584
H2	1.0816		2.4707	2.3370	2.3370
Br3	1.9466	2.4707		3.0558	3.0558
Cl4	1.7584	2.3370	3.0558		2.9155
Cl5	1.7584	2.3370	3.0558	2.9155

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	105.778	H2	C1	Cl4	108.378
H2	C1	Cl5	108.378	Br3	C1	Cl4	111.026
Br3	C1	Cl5	111.026	Cl4	C1	Cl5	111.990

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

using model chemistry: MP2=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: MP2=FULL/6-31G**

States and conformations

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