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	hartrees
Energy at 0K	-3066.861540
Energy at 298.15K
HF Energy	-3066.861540
Nuclear repulsion energy	214.632632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3103	3040	1.82
2	A'	1419	1390	1.60
3	A'	1235	1210	29.18
4	A'	683	669	116.46
5	A'	585	573	41.72
6	A'	220	215	0.39
7	A"	3203	3138	0.21
8	A"	1122	1099	0.00
9	A"	838	821	8.22

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.039	0.000
Br2	0.868	-0.714	0.000
Cl3	-1.824	0.918	0.000
H4	0.306	1.562	0.912
H5	0.306	1.562	-0.912

	C1	Br2	Cl3	H4	H5
C1		1.9564	1.8280	1.0948	1.0948
Br2	1.9564		3.1484	2.5156	2.5156
Cl3	1.8280	3.1484		2.4045	2.4045
H4	1.0948	2.5156	2.4045		1.8243
H5	1.0948	2.5156	2.4045	1.8243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.556	Br2	C1	H4	107.693
Br2	C1	H5	107.693	Cl3	C1	H4	108.068
Cl3	C1	H5	108.068	H4	C1	H5	112.847

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

using model chemistry: LSDA/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	-0.736
2	Br	0.104
3	Cl	0.061
4	H	0.286
5	H	0.286

	x	y	z	Total
	1.264	1.536	0.000	1.989
CHELPG
AIM
ESP

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

using model chemistry: LSDA/6-31G

States and conformations

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