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	hartrees
Energy at 0K	-46.954170
Energy at 298.15K	-46.961351
HF Energy	-46.954170
Nuclear repulsion energy	54.114589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3374	3079	0.55
2	A'	1332	1215	48.40
3	A'	773	705	135.05
4	A'	583	532	6.46
5	A'	290	264	0.26
6	A'	177	161	0.04
7	A"	1294	1181	74.54
8	A"	721	658	126.21
9	A"	209	191	0.51

Atom	x (Å)	y (Å)	z (Å)
C1	-0.240	0.593	0.000
H2	-1.150	1.161	0.000
Cl3	1.141	1.793	0.000
Br4	-0.240	-0.503	1.634
Br5	-0.240	-0.503	-1.634

	C1	H2	Cl3	Br4	Br5
C1		1.0723	1.8296	1.9674	1.9674
H2	1.0723		2.3764	2.5030	2.5030
Cl3	1.8296	2.3764		3.1381	3.1381
Br4	1.9674	2.5030	3.1381		3.2678
Br5	1.9674	2.5030	3.1381	3.2678

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.040	H2	C1	Br4	107.156
H2	C1	Br5	107.156	Cl3	C1	Br4	111.427
Cl3	C1	Br5	111.427	Br4	C1	Br5	112.301

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

using model chemistry: HF/CEP-121G

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	-0.733
2	H	0.282
3	Cl	0.051
4	Br	0.200
5	Br	0.200

	x	y	z	Total
	-1.565	0.224	0.000	1.580
CHELPG
AIM
ESP

	x	y	z
x	4.164	1.851	0.000
y	1.851	6.553	0.000
z	0.000	0.000	9.081

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/CEP-121G

States and conformations

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