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	hartrees
Energy at 0K	-5649.806070
Energy at 298.15K	-5649.812982
HF Energy	-5649.806070
Nuclear repulsion energy	566.344592

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3141	3096	0.24
2	A'	1194	1177	26.87
3	A'	670	660	178.46
4	A'	534	527	18.38
5	A'	268	264	0.14
6	A'	158	156	0.09
7	A"	1130	1114	47.30
8	A"	571	562	172.91
9	A"	193	190	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	-0.230	0.601	0.000
H2	-1.170	1.145	0.000
Cl3	1.097	1.787	0.000
Br4	-0.230	-0.502	1.630
Br5	-0.230	-0.502	-1.630

	C1	H2	Cl3	Br4	Br5
C1		1.0857	1.7790	1.9682	1.9682
H2	1.0857		2.3559	2.5002	2.5002
Cl3	1.7790	2.3559		3.1071	3.1071
Br4	1.9682	2.5002	3.1071		3.2598
Br5	1.9682	2.5002	3.1071	3.2598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.505	H2	C1	Br4	106.037
H2	C1	Br5	106.037	Cl3	C1	Br4	112.234
Cl3	C1	Br5	112.234	Br4	C1	Br5	112.273

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

using model chemistry: B97D3/6-311G**

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	-0.392
2	H	0.256
3	Cl	0.032
4	Br	0.052
5	Br	0.052

	x	y	z	Total
	-0.953	0.473	0.000	1.064
CHELPG
AIM
ESP

	x	y	z
x	5.940	1.808	0.000
y	1.808	8.104	0.000
z	0.000	0.000	10.308

<r²>	321.296
(<r²>)^1/2	17.925

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

using model chemistry: B97D3/6-311G**

States and conformations

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