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	hartrees
Energy at 0K	-5638.214029
Energy at 298.15K	-5638.221177
HF Energy	-5637.685785
Nuclear repulsion energy	574.185998

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3272	3068	0.39
2	A'	1281	1201	27.71
3	A'	809	759	93.41
4	A'	580	544	6.04
5	A'	288	270	0.16
6	A'	177	166	0.03
7	A"	1215	1139	40.88
8	A"	692	648	85.15
9	A"	211	197	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.611	0.000
H2	-1.163	1.160	0.000
Cl3	1.107	1.753	0.000
Br4	-0.232	-0.495	1.602
Br5	-0.232	-0.495	-1.602

	C1	H2	Cl3	Br4	Br5
C1		1.0809	1.7594	1.9466	1.9466
H2	1.0809		2.3462	2.4842	2.4842
Cl3	1.7594	2.3462		3.0675	3.0675
Br4	1.9466	2.4842	3.0675		3.2035
Br5	1.9466	2.4842	3.0675	3.2035

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	109.046	H2	C1	Br4	106.768
H2	C1	Br5	106.768	Cl3	C1	Br4	111.630
Cl3	C1	Br5	111.630	Br4	C1	Br5	110.743

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

using model chemistry: CCD/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: CCD/6-31G**

States and conformations

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