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	hartrees
Energy at 0K	-5637.686098
Energy at 298.15K	-5637.693361
HF Energy	-5637.686098
Nuclear repulsion energy	578.101801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3389	3059	1.22
2	A'	1350	1219	33.79
3	A'	846	763	117.13
4	A'	611	552	7.00
5	A'	304	275	0.16
6	A'	187	169	0.03
7	A"	1298	1172	52.10
8	A"	742	670	108.74
9	A"	223	201	0.08

Atom	x (Å)	y (Å)	z (Å)
C1	-0.232	0.600	0.000
H2	-1.151	1.151	0.000
Cl3	1.104	1.741	0.000
Br4	-0.232	-0.491	1.591
Br5	-0.232	-0.491	-1.591

	C1	H2	Cl3	Br4	Br5
C1		1.0714	1.7567	1.9288	1.9288
H2	1.0714		2.3306	2.4636	2.4636
Cl3	1.7567	2.3306		3.0489	3.0489
Br4	1.9288	2.4636	3.0489		3.1816
Br5	1.9288	2.4636	3.0489	3.1816

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	108.554	H2	C1	Br4	106.899
H2	C1	Br5	106.899	Cl3	C1	Br4	111.550
Cl3	C1	Br5	111.550	Br4	C1	Br5	111.131

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

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

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	-0.220
2	H	0.250
3	Cl	0.047
4	Br	-0.039
5	Br	-0.039

	x	y	z	Total
	-1.060	0.487	0.000	1.166
CHELPG
AIM
ESP

	x	y	z
x	6.013	1.310	0.000
y	1.310	7.489	0.000
z	0.000	0.000	9.204

<r²>	0.000
(<r²>)^1/2	0.000

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

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

States and conformations

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