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	hartrees
Energy at 0K	-5637.719726
Energy at 298.15K	-5637.727007
HF Energy	-5637.719726
Nuclear repulsion energy	580.173960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3392	3067	4.25
2	A'	1354	1225	35.84
3	A'	845	764	115.30
4	A'	619	560	7.15
5	A'	307	278	0.10
6	A'	189	171	0.03
7	A"	1308	1183	57.71
8	A"	742	671	109.20
9	A"	225	203	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.615	0.000
H2	-1.146	1.182	0.000
Cl3	1.126	1.723	0.000
Br4	-0.237	-0.488	1.580
Br5	-0.237	-0.488	-1.580

	C1	H2	Cl3	Br4	Br5
C1		1.0714	1.7565	1.9267	1.9267
H2	1.0714		2.3353	2.4719	2.4719
Cl3	1.7565	2.3353		3.0401	3.0401
Br4	1.9267	2.4719	3.0401		3.1598
Br5	1.9267	2.4719	3.0401	3.1598

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.921	H2	C1	Br4	107.630
H2	C1	Br5	107.630	Cl3	C1	Br4	111.173
Cl3	C1	Br5	111.173	Br4	C1	Br5	110.174

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

using model chemistry: HF/6-31+G**

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	-0.208
2	H	0.242
3	Cl	0.090
4	Br	-0.062
5	Br	-0.062

	x	y	z	Total
	-1.035	0.562	0.000	1.178
CHELPG
AIM
ESP

	x	y	z
x	7.109	1.217	0.000
y	1.217	8.407	0.000
z	0.000	0.000	10.221

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-31+G**

States and conformations

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