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	hartrees
Energy at 0K	-3071.394923
Energy at 298.15K	-3071.400216
HF Energy	-3071.394923
Nuclear repulsion energy	220.294492

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	2997	2.62
2	A'	1459	1389	0.17
3	A'	1262	1202	47.77
4	A'	775	738	93.36
5	A'	647	616	20.53
6	A'	230	219	0.33
7	A"	3230	3076	0.97
8	A"	1161	1106	0.00
9	A"	861	820	2.21

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.010	0.000
Br2	0.840	-0.703	0.000
Cl3	-1.766	0.910	0.000
H4	0.309	1.539	0.896
H5	0.309	1.539	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9080	1.7688	1.0854	1.0854
Br2	1.9080		3.0647	2.4719	2.4719
Cl3	1.7688	3.0647		2.3462	2.3462
H4	1.0854	2.4719	2.3462		1.7925
H5	1.0854	2.4719	2.3462	1.7925

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.868	Br2	C1	H4	108.169
Br2	C1	H5	108.169	Cl3	C1	H4	108.177
Cl3	C1	H5	108.177	H4	C1	H5	111.321

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

using model chemistry: M06-2X/6-31G(2df,p)

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	-0.335
2	Br	0.014
3	Cl	-0.098
4	H	0.210
5	H	0.210

	x	y	z	Total
	0.910	1.325	0.000	1.607
CHELPG
AIM
ESP

	x	y	z
x	7.466	-1.284	0.000
y	-1.284	6.351	0.000
z	0.000	0.000	4.821

<r²>	144.773
(<r²>)^1/2	12.032

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

using model chemistry: M06-2X/6-31G(2df,p)

States and conformations

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