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	hartrees
Energy at 0K	-3056.329767
Energy at 298.15K	-3056.334955
HF Energy	-3056.151422
Nuclear repulsion energy	210.082022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3212	3065	2.72
2	A'	1521	1452	0.49
3	A'	1290	1231	51.41
4	A'	669	639	88.58
5	A'	585	559	7.90
6	A'	212	202	0.56
7	A"	3304	3154	0.01
8	A"	1169	1116	0.03
9	A"	845	806	4.88

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.054	0.000
Br2	0.903	-0.712	0.000
Cl3	-1.890	0.906	0.000
H4	0.265	1.587	0.905
H5	0.265	1.587	-0.905

	C1	Br2	Cl3	H4	H5
C1		1.9836	1.8963	1.0831	1.0831
Br2	1.9836		3.2282	2.5518	2.5518
Cl3	1.8963	3.2282		2.4349	2.4349
H4	1.0831	2.5518	2.4349		1.8101
H5	1.0831	2.5518	2.4349	1.8101

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.597	Br2	C1	H4	109.066
Br2	C1	H5	109.066	Cl3	C1	H4	106.395
Cl3	C1	H5	106.395	H4	C1	H5	113.353

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

using model chemistry: MP2/3-21G

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: MP2/3-21G

States and conformations

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