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	hartrees
Energy at 0K	-5644.064356
Energy at 298.15K	-5644.071512
HF Energy	-5642.675968
Nuclear repulsion energy	576.052302

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3219	3049	0.51
2	A'	1284	1216	26.01
3	A'	793	751	120.40
4	A'	589	557	5.47
5	A'	292	276	0.06
6	A'	174	165	0.00
7	A"	1220	1155	42.60
8	A"	698	662	105.80
9	A"	211	200	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.230	0.596	0.000
H2	-1.162	1.150	0.000
Cl3	1.097	1.751	0.000
Br4	-0.230	-0.493	1.598
Br5	-0.230	-0.493	-1.598

	C1	H2	Cl3	Br4	Br5
C1		1.0844	1.7595	1.9339	1.9339
H2	1.0844		2.3375	2.4745	2.4745
Cl3	1.7595	2.3375		3.0581	3.0581
Br4	1.9339	2.4745	3.0581		3.1966
Br5	1.9339	2.4745	3.0581	3.1966

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.204	H2	C1	Br4	106.730
H2	C1	Br5	106.730	Cl3	C1	Br4	111.697
Cl3	C1	Br5	111.697	Br4	C1	Br5	111.473

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

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 CHClBr2 (Methane, dibromochloro-)

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

States and conformations

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