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	hartrees
Energy at 0K	-3530.870140
Energy at 298.15K	-3530.874611
HF Energy	-3529.814074
Nuclear repulsion energy	395.103015

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3048	0.09
2	A'	1249	1183	40.02
3	A'	766	725	118.75
4	A'	627	593	16.48
5	A'	347	329	0.10
6	A'	234	222	0.01
7	A"	1309	1240	24.07
8	A"	815	772	142.43
9	A"	227	215	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.667	-0.144	0.000
H2	-1.575	0.449	0.000
Br3	0.807	1.114	0.000
Cl4	-0.667	-1.134	1.458
Cl5	-0.667	-1.134	-1.458

	C1	H2	Br3	Cl4	Cl5
C1		1.0844	1.9376	1.7623	1.7623
H2	1.0844		2.4726	2.3359	2.3359
Br3	1.9376	2.4726		3.0581	3.0581
Cl4	1.7623	2.3359	3.0581		2.9157
Cl5	1.7623	2.3359	3.0581	2.9157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Br3	106.353	H2	C1	Cl4	107.897
H2	C1	Cl5	107.897	Br3	C1	Cl4	111.397
Br3	C1	Cl5	111.397	Cl4	C1	Cl5	111.629

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

using model chemistry: MP2=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: MP2=FULL/6-311G*

States and conformations

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