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	hartrees
Energy at 0K	-3073.064157
Energy at 298.15K	-3073.069426
HF Energy	-3072.891670
Nuclear repulsion energy	218.096620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3142	3142	2.77
2	A'	1471	1471	0.06
3	A'	1266	1266	50.45
4	A'	745	745	95.51
5	A'	613	613	29.98
6	A'	229	229	0.16
7	A"	3225	3225	1.48
8	A"	1165	1165	0.00
9	A"	867	867	2.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.026	0.000
Br2	0.839	-0.726	0.000
Cl3	-1.765	0.953	0.000
H4	0.326	1.535	0.896
H5	0.326	1.535	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9428	1.7668	1.0809	1.0809
Br2	1.9428		3.0987	2.4857	2.4857
Cl3	1.7668	3.0987		2.3482	2.3482
H4	1.0809	2.4857	2.3482		1.7929
H5	1.0809	2.4857	2.3482	1.7929

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.212	Br2	C1	H4	107.117
Br2	C1	H5	107.117	Cl3	C1	H4	108.691
Cl3	C1	H5	108.691	H4	C1	H5	112.066

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

using model chemistry: B2PLYP/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	-0.231
2	Br	-0.026
3	Cl	-0.161
4	H	0.209
5	H	0.209

	x	y	z	Total
	0.791	1.349	0.000	1.564
CHELPG
AIM
ESP

	x	y	z
x	8.497	-1.467	0.000
y	-1.467	7.561	0.000
z	0.000	0.000	5.864

<r²>	147.840
(<r²>)^1/2	12.159

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

States and conformations

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