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	hartrees
Energy at 0K	-3069.581798
Energy at 298.15K	-3069.587031
HF Energy	-3069.581798
Nuclear repulsion energy	220.214771

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3043	3019	1.23
2	A'	1372	1361	1.02
3	A'	1183	1174	31.72
4	A'	743	737	95.63
5	A'	616	611	33.79
6	A'	223	221	0.17
7	A"	3123	3098	3.59
8	A"	1097	1088	0.00
9	A"	825	818	3.09

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.013	0.000
Br2	0.831	-0.717	0.000
Cl3	-1.750	0.938	0.000
H4	0.330	1.529	0.905
H5	0.330	1.529	-0.905

	C1	Br2	Cl3	H4	H5
C1		1.9188	1.7512	1.0930	1.0930
Br2	1.9188		3.0653	2.4727	2.4727
Cl3	1.7512	3.0653		2.3440	2.3440
H4	1.0930	2.4727	2.3440		1.8099
H5	1.0930	2.4727	2.3440	1.8099

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.204	Br2	C1	H4	107.163
Br2	C1	H5	107.163	Cl3	C1	H4	108.788
Cl3	C1	H5	108.788	H4	C1	H5	111.773

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

using model chemistry: SVWN/aug-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	-0.452
2	Br	0.102
3	Cl	-0.110
4	H	0.230
5	H	0.230

	x	y	z	Total
	0.758	1.307	0.000	1.511
CHELPG
AIM
ESP

	x	y	z
x	8.983	-1.462	0.000
y	-1.462	7.924	0.000
z	0.000	0.000	6.274

<r²>	145.116
(<r²>)^1/2	12.046

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

using model chemistry: SVWN/aug-cc-pVTZ

States and conformations

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