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	hartrees
Energy at 0K	-3071.769634
Energy at 298.15K	-3071.774957
HF Energy	-3070.905449
Nuclear repulsion energy	218.608984

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3171	3004	6.95
2	A'	1495	1416	0.33
3	A'	1328	1257	60.10
4	A'	789	747	93.83
5	A'	640	606	22.47
6	A'	239	226	0.16
7	A"	3256	3084	0.00
8	A"	1214	1150	0.08
9	A"	889	842	5.98

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.018	0.000
Br2	0.838	-0.724	0.000
Cl3	-1.763	0.951	0.000
H4	0.328	1.534	0.896
H5	0.328	1.534	-0.896

	C1	Br2	Cl3	H4	H5
C1		1.9331	1.7642	1.0850	1.0850
Br2	1.9331		3.0930	2.4823	2.4823
Cl3	1.7642	3.0930		2.3488	2.3488
H4	1.0850	2.4823	2.3488		1.7927
H5	1.0850	2.4823	2.3488	1.7927

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.474	Br2	C1	H4	107.300
Br2	C1	H5	107.300	Cl3	C1	H4	108.694
Cl3	C1	H5	108.694	H4	C1	H5	111.410

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

using model chemistry: MP2=FULL/6-311G*

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/6-311G*

States and conformations

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