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	hartrees
Energy at 0K	-5637.620217
Energy at 298.15K	-5637.627181
HF Energy	-5637.379156
Nuclear repulsion energy	558.819165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3097	0.12
2	A'	1238	1177	21.73
3	A'	681	647	101.86
4	A'	533	507	4.39
5	A'	265	252	0.12
6	A'	165	156	0.04
7	A"	1205	1145	34.64
8	A"	646	614	87.96
9	A"	192	183	0.21

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.610	0.000
H2	-1.158	1.204	0.000
Cl3	1.185	1.797	0.000
Br4	-0.250	-0.506	1.639
Br5	-0.250	-0.506	-1.639

	C1	H2	Cl3	Br4	Br5
C1		1.0852	1.8618	1.9827	1.9827
H2	1.0852		2.4173	2.5365	2.5365
Cl3	1.8618	2.4173		3.1696	3.1696
Br4	1.9827	2.5365	3.1696		3.2771
Br5	1.9827	2.5365	3.1696	3.2771

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.265	H2	C1	Br4	107.933
H2	C1	Br5	107.933	Cl3	C1	Br4	111.025
Cl3	C1	Br5	111.025	Br4	C1	Br5	111.466

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)

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 CHClBr2 (Methane, dibromochloro-)

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

States and conformations

All results from a given calculation for CHClBr₂ (Methane, dibromochloro-)