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	hartrees
Energy at 0K	-3070.905682
Energy at 298.15K	-3070.911058
HF Energy	-3070.905682
Nuclear repulsion energy	218.718975

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3320	3003	12.20
2	A'	1597	1444	0.77
3	A'	1405	1270	97.18
4	A'	807	729	126.81
5	A'	661	597	30.25
6	A'	248	224	0.22
7	A"	3405	3080	0.32
8	A"	1284	1161	0.02
9	A"	937	847	4.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.019	0.000
Br2	0.840	-0.720	0.000
Cl3	-1.767	0.943	0.000
H4	0.317	1.532	0.887
H5	0.317	1.532	-0.887

	C1	Br2	Cl3	H4	H5
C1		1.9321	1.7684	1.0723	1.0723
Br2	1.9321		3.0925	2.4766	2.4766
Cl3	1.7684	3.0925		2.3402	2.3402
H4	1.0723	2.4766	2.3402		1.7736
H5	1.0723	2.4766	2.3402	1.7736

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.303	Br2	C1	H4	107.567
Br2	C1	H5	107.567	Cl3	C1	H4	108.435
Cl3	C1	H5	108.435	H4	C1	H5	111.584

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)

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	-0.515
2	Br	-0.022
3	Cl	-0.062
4	H	0.300
5	H	0.300

	x	y	z	Total
	1.085	1.574	0.000	1.911
CHELPG
AIM
ESP

	x	y	z
x	6.412	-1.493	0.000
y	-1.493	5.425	0.000
z	0.000	0.000	3.304

<r²>	147.468
(<r²>)^1/2	12.144

All results from a given calculation for CH2BrCl (Methane, bromochloro-)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CH₂BrCl (Methane, bromochloro-)