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	hartrees
Energy at 0K	-3070.657555
Energy at 298.15K	-3070.662828
HF Energy	-3070.657555
Nuclear repulsion energy	218.414857

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3159	3015	4.44
2	A'	1464	1397	0.17
3	A'	1269	1211	55.42
4	A'	759	724	103.46
5	A'	618	590	34.47
6	A'	234	223	0.26
7	A"	3249	3101	0.18
8	A"	1170	1116	0.00
9	A"	861	822	3.72

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.022	0.000
Br2	0.838	-0.724	0.000
Cl3	-1.765	0.949	0.000
H4	0.331	1.534	0.900
H5	0.331	1.534	-0.900

	C1	Br2	Cl3	H4	H5
C1		1.9362	1.7661	1.0868	1.0868
Br2	1.9362		3.0942	2.4827	2.4827
Cl3	1.7661	3.0942		2.3538	2.3538
H4	1.0868	2.4827	2.3538		1.7995
H5	1.0868	2.4827	2.3538	1.7995

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.312	Br2	C1	H4	107.046
Br2	C1	H5	107.046	Cl3	C1	H4	108.853
Cl3	C1	H5	108.853	H4	C1	H5	111.768

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

using model chemistry: HSEh1PBE/6-31G**

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	-0.375
2	Br	-0.075
3	Cl	0.002
4	H	0.224
5	H	0.224

	x	y	z	Total
	0.938	1.414	0.000	1.697
CHELPG
AIM
ESP

	x	y	z
x	6.623	-1.380	0.000
y	-1.380	5.598	0.000
z	0.000	0.000	3.828

<r²>	146.997
(<r²>)^1/2	12.124

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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