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	hartrees
Energy at 0K	-47.151463
Energy at 298.15K	-47.158451
HF Energy	-46.952159
Nuclear repulsion energy	53.057792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3148	3073	2.19
2	A'	1215	1186	32.81
3	A'	691	674	102.77
4	A'	535	522	4.30
5	A'	265	258	0.06
6	A'	164	160	0.00
7	A"	1199	1170	50.94
8	A"	647	632	108.79
9	A"	191	187	0.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.246	0.603	0.000
H2	-1.170	1.187	0.000
Cl3	1.167	1.830	0.000
Br4	-0.246	-0.513	1.664
Br5	-0.246	-0.513	-1.664

	C1	H2	Cl3	Br4	Br5
C1		1.0931	1.8709	2.0041	2.0041
H2	1.0931		2.4239	2.5522	2.5522
Cl3	1.8709	2.4239		3.2023	3.2023
Br4	2.0041	2.5522	3.2023		3.3289
Br5	2.0041	2.5522	3.2023	3.3289

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	106.772	H2	C1	Br4	107.294
H2	C1	Br5	107.294	Cl3	C1	Br4	111.419
Cl3	C1	Br5	111.419	Br4	C1	Br5	112.306

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

using model chemistry: MP2/CEP-121G

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/CEP-121G

States and conformations

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