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	hartrees
Energy at 0K	-3037.883643
Energy at 298.15K	-3037.888929
HF Energy	-3037.805770
Nuclear repulsion energy	214.841242

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3388	3011	0.12
2	A'	1648	1465	0.67
3	A'	1398	1243	54.73
4	A'	898	798	52.13
5	A'	725	645	10.73
6	A'	244	217	1.71
7	A"	3511	3121	0.01
8	A"	1281	1139	0.09
9	A"	922	819	0.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.009	0.000
Br2	0.875	-0.707	0.000
Cl3	-1.836	0.914	0.000
H4	0.292	1.582	0.905
H5	0.292	1.582	-0.905

	C1	Br2	Cl3	H4	H5
C1		1.9268	1.8385	1.1105	1.1105
Br2	1.9268		3.1586	2.5298	2.5298
Cl3	1.8385	3.1586		2.4075	2.4075
H4	1.1105	2.5298	2.4075		1.8108
H5	1.1105	2.5298	2.4075	1.8108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	114.024	Br2	C1	H4	109.867
Br2	C1	H5	109.867	Cl3	C1	H4	106.845
Cl3	C1	H5	106.845	H4	C1	H5	109.244

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

using model chemistry: MP2=FULL/STO-3G

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=FULL/STO-3G

States and conformations

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