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	hartrees
Energy at 0K	-5642.618099
Energy at 298.15K	-5642.625016
HF Energy	-5642.618099
Nuclear repulsion energy	570.019784

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3103	3086	1.25
2	A'	1161	1154	21.66
3	A'	656	653	136.45
4	A'	547	544	9.63
5	A'	266	265	0.03
6	A'	161	160	0.04
7	A"	1126	1119	33.13
8	A"	603	599	129.71
9	A"	188	187	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.598	0.000
H2	-1.162	1.177	0.000
Cl3	1.130	1.772	0.000
Br4	-0.238	-0.498	1.610
Br5	-0.238	-0.498	-1.610

	C1	H2	Cl3	Br4	Br5
C1		1.0902	1.8026	1.9476	1.9476
H2	1.0902		2.3680	2.5002	2.5002
Cl3	1.8026	2.3680		3.1012	3.1012
Br4	1.9476	2.5002	3.1012		3.2191
Br5	1.9476	2.5002	3.1012	3.2191

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.308	H2	C1	Br4	107.385
H2	C1	Br5	107.385	Cl3	C1	Br4	111.515
Cl3	C1	Br5	111.515	Br4	C1	Br5	111.464

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.281
2	H	0.194
3	Cl	-0.076
4	Br	0.081
5	Br	0.081

	x	y	z	Total
	-0.895	0.328	0.000	0.953
CHELPG
AIM
ESP

	x	y	z
x	7.729	1.548	0.000
y	1.548	9.441	0.000
z	0.000	0.000	11.339

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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