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	hartrees
Energy at 0K	-5644.072398
Energy at 298.15K	-5644.079564
HF Energy	-5642.677734
Nuclear repulsion energy	576.388284

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3060	0.22
2	A'	1269	1204	29.30
3	A'	796	755	118.57
4	A'	586	556	5.05
5	A'	292	277	0.06
6	A'	174	166	0.00
7	A"	1199	1137	46.76
8	A"	702	666	103.25
9	A"	212	201	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	0.593	0.000
H2	-1.163	1.144	0.000
Cl3	1.093	1.753	0.000
Br4	-0.229	-0.493	1.598
Br5	-0.229	-0.493	-1.598

	C1	H2	Cl3	Br4	Br5
C1		1.0842	1.7586	1.9319	1.9319
H2	1.0842		2.3369	2.4706	2.4706
Cl3	1.7586	2.3369		3.0569	3.0569
Br4	1.9319	2.4706	3.0569		3.1951
Br5	1.9319	2.4706	3.0569	3.1951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.233	H2	C1	Br4	106.587
H2	C1	Br5	106.587	Cl3	C1	Br4	111.766
Cl3	C1	Br5	111.766	Br4	C1	Br5	111.568

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-)