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	hartrees
Energy at 0K	-5642.676148
Energy at 298.15K	-5642.683409
HF Energy	-5642.676148
Nuclear repulsion energy	576.754069

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3394	3069	0.13
2	A'	1369	1238	37.91
3	A'	835	755	132.53
4	A'	613	554	5.42
5	A'	305	276	0.05
6	A'	183	166	0.02
7	A"	1314	1189	62.85
8	A"	750	678	114.77
9	A"	221	200	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.230	0.590	0.000
H2	-1.146	1.142	0.000
Cl3	1.096	1.748	0.000
Br4	-0.230	-0.491	1.598
Br5	-0.230	-0.491	-1.598

	C1	H2	Cl3	Br4	Br5
C1		1.0695	1.7610	1.9293	1.9293
H2	1.0695		2.3228	2.4616	2.4616
Cl3	1.7610	2.3228		3.0543	3.0543
Br4	1.9293	2.4616	3.0543		3.1958
Br5	1.9293	2.4616	3.0543	3.1958

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	Cl3	107.785	H2	C1	Br4	106.810
H2	C1	Br5	106.810	Cl3	C1	Br4	111.637
Cl3	C1	Br5	111.637	Br4	C1	Br5	111.835

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

using model chemistry: HF/6-311G*

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	-0.450
2	H	0.338
3	Cl	0.006
4	Br	0.052
5	Br	0.052

	x	y	z	Total
	-1.116	0.435	0.000	1.197
CHELPG
AIM
ESP

	x	y	z
x	5.527	1.489	0.000
y	1.489	7.269	0.000
z	0.000	0.000	9.158

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: HF/6-311G*

States and conformations

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