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	hartrees
Energy at 0K	-3056.353911
Energy at 298.15K	-3056.359097
HF Energy	-3056.151414
Nuclear repulsion energy	210.064129

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3208	3208	2.76
2	A'	1516	1516	0.36
3	A'	1287	1287	50.39
4	A'	672	672	80.32
5	A'	585	585	7.76
6	A'	212	212	0.57
7	A"	3297	3297	0.01
8	A"	1164	1164	0.03
9	A"	841	841	4.78

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.056	0.000
Br2	0.903	-0.712	0.000
Cl3	-1.890	0.907	0.000
H4	0.266	1.589	0.905
H5	0.266	1.589	-0.905

	C1	Br2	Cl3	H4	H5
C1		1.9852	1.8954	1.0832	1.0832
Br2	1.9852		3.2274	2.5534	2.5534
Cl3	1.8954	3.2274		2.4351	2.4351
H4	1.0832	2.5534	2.4351		1.8095
H5	1.0832	2.5534	2.4351	1.8095

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	112.522	Br2	C1	H4	109.077
Br2	C1	H5	109.077	Cl3	C1	H4	106.460
Cl3	C1	H5	106.460	H4	C1	H5	113.277

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

using model chemistry: MP3=FULL/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: MP3=FULL/3-21G

States and conformations

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