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	hartrees
Energy at 0K	-3071.407349
Energy at 298.15K	-3071.412641
HF Energy	-3070.921172
Nuclear repulsion energy	217.499866

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3176	3.37
2	A'	1451	1451	0.01
3	A'	1266	1266	50.97
4	A'	763	763	85.66
5	A'	631	631	18.94
6	A'	233	233	0.23
7	A"	3262	3262	0.81
8	A"	1166	1166	0.01
9	A"	862	862	2.14

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.030	0.000
Br2	0.847	-0.718	0.000
Cl3	-1.781	0.933	0.000
H4	0.317	1.548	0.907
H5	0.317	1.548	-0.907

	C1	Br2	Cl3	H4	H5
C1		1.9422	1.7832	1.0919	1.0919
Br2	1.9422		3.1028	2.4980	2.4980
Cl3	1.7832	3.1028		2.3669	2.3669
H4	1.0919	2.4980	2.3669		1.8144
H5	1.0919	2.4980	2.3669	1.8144

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.720	Br2	C1	H4	107.497
Br2	C1	H5	107.497	Cl3	C1	H4	108.414
Cl3	C1	H5	108.414	H4	C1	H5	112.366

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

States and conformations

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