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	hartrees
Energy at 0K	-3071.171757
Energy at 298.15K	-3071.176902
HF Energy	-3071.171757
Nuclear repulsion energy	213.410741

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3066	3042	5.41
2	A'	1420	1409	0.55
3	A'	1212	1203	61.25
4	A'	669	664	105.58
5	A'	556	551	55.50
6	A'	215	213	0.20
7	A"	3156	3132	0.08
8	A"	1109	1100	0.00
9	A"	824	818	3.23

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.046	0.000
Br2	0.857	-0.745	0.000
Cl3	-1.804	0.982	0.000
H4	0.331	1.552	0.910
H5	0.331	1.552	-0.910

	C1	Br2	Cl3	H4	H5
C1		1.9853	1.8053	1.0925	1.0925
Br2	1.9853		3.1727	2.5257	2.5257
Cl3	1.8053	3.1727		2.3900	2.3900
H4	1.0925	2.5257	2.3900		1.8201
H5	1.0925	2.5257	2.3900	1.8201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.558	Br2	C1	H4	106.660
Br2	C1	H5	106.660	Cl3	C1	H4	108.616
Cl3	C1	H5	108.616	H4	C1	H5	112.812

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

using model chemistry: BLYP/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	-0.279
2	Br	-0.077
3	Cl	-0.018
4	H	0.187
5	H	0.187

	x	y	z	Total
	0.926	1.380	0.000	1.661
CHELPG
AIM
ESP

	x	y	z
x	7.042	-1.612	0.000
y	-1.612	5.859	0.000
z	0.000	0.000	3.880

<r²>	153.172
(<r²>)^1/2	12.376

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

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

States and conformations

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