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	hartrees
Energy at 0K	-5638.225524
Energy at 298.15K	-5638.232610
HF Energy	-5637.683510
Nuclear repulsion energy	572.203830

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3208	3086
2	A'	1261	1214
3	A'	782	752
4	A'	569	547
5	A'	283	272
6	A'	174	167
7	A"	1189	1144
8	A"	664	639
9	A"	206	199

Atom	x (Å)	y (Å)	z (Å)
C1	-0.235	0.619	0.000
H2	-1.168	1.178	0.000
Cl3	1.118	1.754	0.000
Br4	-0.235	-0.496	1.606
Br5	-0.235	-0.496	-1.606

	C1	H2	Cl3	Br4	Br5
C1		1.0880	1.7651	1.9554	1.9554
H2	1.0880		2.3573	2.5005	2.5005
Cl3	1.7651	2.3573		3.0772	3.0772
Br4	1.9554	2.5005	3.0772		3.2127
Br5	1.9554	2.5005	3.0772	3.2127

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.107	H2	C1	Br4	107.023
H2	C1	Br5	107.023	Cl3	C1	Br4	111.501
Cl3	C1	Br5	111.501	Br4	C1	Br5	110.472

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

using model chemistry: CCSD(T)/6-31G*

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: CCSD(T)/6-31G*

States and conformations

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