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	hartrees
Energy at 0K	-5647.217936
Energy at 298.15K	-5647.224952
HF Energy	-5647.217936
Nuclear repulsion energy	569.031916

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3195	3089	0.95
2	A'	1226	1185	27.50
3	A'	713	690	157.86
4	A'	556	538	9.60
5	A'	277	268	0.05
6	A'	164	159	0.02
7	A"	1166	1128	47.31
8	A"	626	605	144.65
9	A"	199	192	0.13

Atom	x (Å)	y (Å)	z (Å)
C1	-0.231	0.597	0.000
H2	-1.164	1.143	0.000
Cl3	1.099	1.777	0.000
Br4	-0.231	-0.499	1.621
Br5	-0.231	-0.499	-1.621

	C1	H2	Cl3	Br4	Br5
C1		1.0811	1.7778	1.9569	1.9569
H2	1.0811		2.3500	2.4890	2.4890
Cl3	1.7778	2.3500		3.0948	3.0948
Br4	1.9569	2.4890	3.0948		3.2417
Br5	1.9569	2.4890	3.0948	3.2417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.086	H2	C1	Br4	106.434
H2	C1	Br5	106.434	Cl3	C1	Br4	111.833
Cl3	C1	Br5	111.833	Br4	C1	Br5	111.848

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

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	-0.393
2	H	0.250
3	Cl	0.027
4	Br	0.058
5	Br	0.058

	x	y	z	Total
	-1.006	0.405	0.000	1.085
CHELPG
AIM
ESP

	x	y	z
x	5.857	1.721	0.000
y	1.721	7.879	0.000
z	0.000	0.000	9.946

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/6-311G**

States and conformations

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