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	hartrees
Energy at 0K	-3073.743638
Energy at 298.15K	-3073.748929
HF Energy	-3073.743638
Nuclear repulsion energy	218.909134

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3144	3003	2.75
2	A'	1463	1397	0.08
3	A'	1260	1203	55.75
4	A'	774	740	95.36
5	A'	635	606	27.63
6	A'	228	218	0.26
7	A"	3227	3082	1.44
8	A"	1162	1110	0.00
9	A"	861	822	2.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.023	0.000
Br2	0.837	-0.720	0.000
Cl3	-1.762	0.941	0.000
H4	0.323	1.534	0.897
H5	0.323	1.534	-0.897

	C1	Br2	Cl3	H4	H5
C1		1.9339	1.7638	1.0814	1.0814
Br2	1.9339		3.0848	2.4798	2.4798
Cl3	1.7638	3.0848		2.3457	2.3457
H4	1.0814	2.4798	2.3457		1.7934
H5	1.0814	2.4798	2.3457	1.7934

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.991	Br2	C1	H4	107.244
Br2	C1	H5	107.244	Cl3	C1	H4	108.685
Cl3	C1	H5	108.685	H4	C1	H5	112.042

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

using model chemistry: M06-2X/cc-pVTZ

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	-0.156
2	Br	-0.083
3	Cl	-0.086
4	H	0.162
5	H	0.162

	x	y	z	Total
	0.831	1.415	0.000	1.641
CHELPG
AIM
ESP

	x	y	z
x	7.487	-1.516	0.000
y	-1.516	6.528	0.000
z	0.000	0.000	4.497

<r²>	146.619
(<r²>)^1/2	12.109

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

using model chemistry: M06-2X/cc-pVTZ

States and conformations

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