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	hartrees
Energy at 0K	-5638.053026
Energy at 298.15K	-5638.060308
HF Energy	-5638.053026
Nuclear repulsion energy	582.717072

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3359	3041	2.32
2	A'	1339	1212	26.84
3	A'	834	755	107.81
4	A'	622	563	4.21
5	A'	307	278	0.13
6	A'	188	170	0.02
7	A"	1301	1178	38.83
8	A"	774	701	89.98
9	A"	220	199	0.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.586	0.000
H2	-1.140	1.158	0.000
Cl3	1.110	1.726	0.000
Br4	-0.233	-0.486	1.576
Br5	-0.233	-0.486	-1.576

	C1	H2	Cl3	Br4	Br5
C1		1.0719	1.7621	1.9057	1.9057
H2	1.0719		2.3207	2.4508	2.4508
Cl3	1.7621	2.3207		3.0301	3.0301
Br4	1.9057	2.4508	3.0301		3.1516
Br5	1.9057	2.4508	3.0301	3.1516

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.428	H2	C1	Br4	107.459
H2	C1	Br5	107.459	Cl3	C1	Br4	111.344
Cl3	C1	Br5	111.344	Br4	C1	Br5	111.560

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

using model chemistry: HF/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	-0.384
2	H	0.256
3	Cl	-0.048
4	Br	0.088
5	Br	0.088

	x	y	z	Total
	-0.991	0.397	0.000	1.068
CHELPG
AIM
ESP

	x	y	z
x	7.316	1.255	0.000
y	1.255	8.688	0.000
z	0.000	0.000	10.263

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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