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	hartrees
Energy at 0K	-5620.626570
Energy at 298.15K	-5620.633426
HF Energy	-5620.626570
Nuclear repulsion energy	564.298745

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3121	3101	0.19
2	A'	1186	1178	20.06
3	A'	609	605	157.92
4	A'	541	538	7.33
5	A'	258	256	0.16
6	A'	154	153	0.03
7	A"	1143	1136	33.80
8	A"	601	597	140.64
9	A"	185	184	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.613	0.000
H2	-1.165	1.198	0.000
Cl3	1.160	1.779	0.000
Br4	-0.244	-0.502	1.624
Br5	-0.244	-0.502	-1.624

	C1	H2	Cl3	Br4	Br5
C1		1.0909	1.8257	1.9699	1.9699
H2	1.0909		2.3967	2.5249	2.5249
Cl3	1.8257	2.3967		3.1326	3.1326
Br4	1.9699	2.5249	3.1326		3.2485
Br5	1.9699	2.5249	3.1326	3.2485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.850	H2	C1	Br4	107.672
H2	C1	Br5	107.672	Cl3	C1	Br4	111.186
Cl3	C1	Br5	111.186	Br4	C1	Br5	111.089

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

using model chemistry: BLYP/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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Number	Element	Mulliken
1	C	-0.409
2	H	0.297
3	Cl	0.034
4	Br	0.039
5	Br	0.039

	x	y	z	Total
	-1.131	0.124	0.000	1.138
CHELPG
AIM
ESP

	x	y	z
x	5.837	1.679	0.000
y	1.679	7.596	0.000
z	0.000	0.000	9.484

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/3-21G*

States and conformations

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