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	hartrees
Energy at 0K	-3531.109305
Energy at 298.15K
HF Energy	-3529.956066
Nuclear repulsion energy	399.781420

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3211	3071	3.48
2	A'	1221	1168	28.51
3	A'	780	746	104.47
4	A'	636	608	8.18
5	A'	342	327	0.10
6	A'	230	220	0.05
7	A"	1259	1205	16.51
8	A"	813	777	116.34
9	A"	222	212	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.662	-0.128	0.000
H2	-1.564	0.463	0.000
Br3	0.802	1.094	0.000
Cl4	-0.662	-1.117	1.444
Cl5	-0.662	-1.117	-1.444

	C1	H2	Br3	Cl4	Cl5
C1		1.0783	1.9063	1.7503	1.7503
H2	1.0783		2.4483	2.3228	2.3228
Br3	1.9063	2.4483		3.0189	3.0189
Cl4	1.7503	2.3228	3.0189		2.8878
Cl5	1.7503	2.3228	3.0189	2.8878

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.936	H2	C1	Cl4	108.042
H2	C1	Cl5	108.042	Br3	C1	Cl4	111.227
Br3	C1	Cl5	111.227	Cl4	C1	Cl5	111.169

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

using model chemistry: MP2=FULL/aug-cc-pVQZ

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/aug-cc-pVQZ

States and conformations

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