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	hartrees
Energy at 0K	-5638.175596
Energy at 298.15K	-5638.182728
HF Energy	-5637.683953
Nuclear repulsion energy	575.128032

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3248	3062	1.61
2	A'	1278	1205	26.49
3	A'	800	754	108.59
4	A'	583	550	7.52
5	A'	289	272	0.17
6	A'	177	167	0.02
7	A"	1204	1135	40.38
8	A"	682	643	100.33
9	A"	211	199	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.234	0.613	0.000
H2	-1.165	1.172	0.000
Cl3	1.113	1.747	0.000
Br4	-0.234	-0.494	1.602
Br5	-0.234	-0.494	-1.602

	C1	H2	Cl3	Br4	Br5
C1		1.0863	1.7605	1.9469	1.9469
H2	1.0863		2.3496	2.4913	2.4913
Cl3	1.7605	2.3496		3.0660	3.0660
Br4	1.9469	2.4913	3.0660		3.2035
Br5	1.9469	2.4913	3.0660	3.2035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.939	H2	C1	Br4	106.996
H2	C1	Br5	106.996	Cl3	C1	Br4	111.484
Cl3	C1	Br5	111.484	Br4	C1	Br5	110.720

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

using model chemistry: MP2/6-31G*

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: MP2/6-31G*

States and conformations

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