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	hartrees
Energy at 0K	-66.625943
Energy at 298.15K	-66.631231
HF Energy	-66.625943
Nuclear repulsion energy	43.746476

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3376	3038	16.61
2	A'	1585	1426	1.30
3	A'	1394	1254	87.76
4	A'	725	652	129.85
5	A'	611	550	27.64
6	A'	234	211	0.62
7	A"	3485	3136	1.89
8	A"	1264	1138	0.78
9	A"	930	837	3.84

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.051	0.000
Br2	0.872	-0.731	0.000
Cl3	-1.830	0.951	0.000
H4	0.298	1.563	0.891
H5	0.298	1.563	-0.891

	C1	Br2	Cl3	H4	H5
C1		1.9846	1.8323	1.0696	1.0696
Br2	1.9846		3.1824	2.5275	2.5275
Cl3	1.8323	3.1824		2.3860	2.3860
H4	1.0696	2.5275	2.3860		1.7818
H5	1.0696	2.5275	2.3860	1.7818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.911	Br2	C1	H4	107.911
Br2	C1	H5	107.911	Cl3	C1	H4	107.698
Cl3	C1	H5	107.698	H4	C1	H5	112.805

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

using model chemistry: HF/LANL2DZ

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	-0.535
2	Br	0.024
3	Cl	-0.072
4	H	0.291
5	H	0.291

	x	y	z	Total
	1.566	1.877	0.000	2.444
CHELPG
AIM
ESP

	x	y	z
x	5.625	-1.985	0.000
y	-1.985	4.817	0.000
z	0.000	0.000	1.768

<r²>	73.617
(<r²>)^1/2	8.580

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

using model chemistry: HF/LANL2DZ

States and conformations

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