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	hartrees
Energy at 0K	-5638.294390
Energy at 298.15K	-5638.301555
HF Energy	-5637.719554
Nuclear repulsion energy	578.786061

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3260	3062	3.57
2	A'	1270	1193	29.53
3	A'	799	750	106.38
4	A'	593	557	7.10
5	A'	294	276	0.09
6	A'	180	169	0.01
7	A"	1205	1132	46.39
8	A"	686	644	99.25
9	A"	212	199	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.627	0.000
H2	-1.159	1.194	0.000
Cl3	1.129	1.726	0.000
Br4	-0.237	-0.490	1.582
Br5	-0.237	-0.490	-1.582

	C1	H2	Cl3	Br4	Br5
C1		1.0821	1.7538	1.9366	1.9366
H2	1.0821		2.3496	2.4874	2.4874
Cl3	1.7538	2.3496		3.0467	3.0467
Br4	1.9366	2.4874	3.0467		3.1637
Br5	1.9366	2.4874	3.0467	3.1637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.610	H2	C1	Br4	107.581
H2	C1	Br5	107.581	Cl3	C1	Br4	111.198
Cl3	C1	Br5	111.198	Br4	C1	Br5	109.537

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

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

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/6-31+G**

States and conformations

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