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	hartrees
Energy at 0K	-3073.695229
Energy at 298.15K	-3073.700519
HF Energy	-3073.695229
Nuclear repulsion energy	218.934050

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3142	2.79
2	A'	1466	1466	0.28
3	A'	1259	1259	47.78
4	A'	762	762	96.52
5	A'	632	632	23.69
6	A'	232	232	0.20
7	A"	3225	3225	1.46
8	A"	1158	1158	0.00
9	A"	868	868	2.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.020	0.000
Br2	0.837	-0.721	0.000
Cl3	-1.761	0.945	0.000
H4	0.324	1.533	0.896
H5	0.324	1.533	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9315	1.7631	1.0825	1.0825
Br2	1.9315		3.0866	2.4793	2.4793
Cl3	1.7631	3.0866		2.3449	2.3449
H4	1.0825	2.4793	2.3449		1.7928
H5	1.0825	2.4793	2.3449	1.7928

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.243	Br2	C1	H4	107.311
Br2	C1	H5	107.311	Cl3	C1	H4	108.611
Cl3	C1	H5	108.611	H4	C1	H5	111.805

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	-0.247
2	Br	-0.031
3	Cl	-0.153
4	H	0.215
5	H	0.215

	x	y	z	Total
	0.816	1.343	0.000	1.572
CHELPG
AIM
ESP

	x	y	z
x	8.438	-1.405	0.000
y	-1.405	7.529	0.000
z	0.000	0.000	5.916

<r²>	146.622
(<r²>)^1/2	12.109

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

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