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	hartrees
Energy at 0K	-5616.641282
Energy at 298.15K	-5616.648376
HF Energy	-5616.150622
Nuclear repulsion energy	573.180593

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3221	3064	1.07
2	A'	1276	1213	20.71
3	A'	723	688	109.03
4	A'	586	558	3.86
5	A'	280	267	0.09
6	A'	170	162	0.05
7	A"	1222	1162	34.42
8	A"	703	669	92.98
9	A"	204	194	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.621	0.000
H2	-1.157	1.206	0.000
Cl3	1.154	1.739	0.000
Br4	-0.243	-0.493	1.598
Br5	-0.243	-0.493	-1.598

	C1	H2	Cl3	Br4	Br5
C1		1.0855	1.7893	1.9473	1.9473
H2	1.0855		2.3720	2.5045	2.5045
Cl3	1.7893	2.3720		3.0796	3.0796
Br4	1.9473	2.5045	3.0796		3.1951
Br5	1.9473	2.5045	3.0796	3.1951

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.719	H2	C1	Br4	107.943
H2	C1	Br5	107.943	Cl3	C1	Br4	110.938
Cl3	C1	Br5	110.938	Br4	C1	Br5	110.249

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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