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	hartrees
Energy at 0K	-3073.649852
Energy at 298.15K	-3073.655132
HF Energy	-3073.649852
Nuclear repulsion energy	218.438933

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3150	3150	2.10
2	A'	1416	1416	0.29
3	A'	1237	1237	47.09
4	A'	768	768	98.41
5	A'	632	632	29.65
6	A'	230	230	0.26
7	A"	3244	3244	2.87
8	A"	1144	1144	0.01
9	A"	845	845	2.52

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.027	0.000
Br2	0.842	-0.717	0.000
Cl3	-1.770	0.931	0.000
H4	0.318	1.542	0.907
H5	0.318	1.542	-0.907

	C1	Br2	Cl3	H4	H5
C1		1.9364	1.7727	1.0895	1.0895
Br2	1.9364		3.0880	2.4890	2.4890
Cl3	1.7727	3.0880		2.3563	2.3563
H4	1.0895	2.4890	2.3563		1.8131
H5	1.0895	2.4890	2.3563	1.8131

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.654	Br2	C1	H4	107.359
Br2	C1	H5	107.359	Cl3	C1	H4	108.457
Cl3	C1	H5	108.457	H4	C1	H5	112.625

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

using model chemistry: M06-2X/aug-cc-pVDZ

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	-0.202
2	Br	0.263
3	Cl	0.043
4	H	-0.052
5	H	-0.052

	x	y	z	Total
	0.820	1.447	0.000	1.663
CHELPG
AIM
ESP

	x	y	z
x	8.388	-1.432	0.000
y	-1.432	7.418	0.000
z	0.000	0.000	5.707

<r²>	147.113
(<r²>)^1/2	12.129

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

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