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	hartrees
Energy at 0K	-5637.616450
Energy at 298.15K	-5637.623403
HF Energy	-5637.378944
Nuclear repulsion energy	557.995688

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3232	3102	0.01
2	A'	1231	1181	19.33
3	A'	686	658	83.49
4	A'	530	508	4.19
5	A'	263	253	0.15
6	A'	163	157	0.06
7	A"	1194	1146	30.28
8	A"	642	616	73.04
9	A"	191	183	0.27

Atom	x (Å)	y (Å)	z (Å)
C1	-0.250	0.612	0.000
H2	-1.161	1.205	0.000
Cl3	1.184	1.800	0.000
Br4	-0.250	-0.507	1.642
Br5	-0.250	-0.507	-1.642

	C1	H2	Cl3	Br4	Br5
C1		1.0871	1.8613	1.9867	1.9867
H2	1.0871		2.4194	2.5405	2.5405
Cl3	1.8613	2.4194		3.1731	3.1731
Br4	1.9867	2.5405	3.1731		3.2831
Br5	1.9867	2.5405	3.1731	3.2831

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.361	H2	C1	Br4	107.871
H2	C1	Br5	107.871	Cl3	C1	Br4	111.057
Cl3	C1	Br5	111.057	Br4	C1	Br5	111.431

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-)