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	hartrees
Energy at 0K	-3071.768126
Energy at 298.15K	-3071.773454
HF Energy	-3070.908831
Nuclear repulsion energy	218.377162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3197	3197	7.72
2	A'	1484	1484	0.99
3	A'	1321	1321	67.06
4	A'	796	796	85.86
5	A'	640	640	18.43
6	A'	239	239	0.16
7	A"	3272	3272	0.17
8	A"	1206	1206	0.08
9	A"	876	876	4.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.018	0.000
Br2	0.838	-0.725	0.000
Cl3	-1.765	0.953	0.000
H4	0.329	1.534	0.895
H5	0.329	1.534	-0.895

	C1	Br2	Cl3	H4	H5
C1		1.9347	1.7661	1.0838	1.0838
Br2	1.9347		3.0976	2.4828	2.4828
Cl3	1.7661	3.0976		2.3496	2.3496
H4	1.0838	2.4828	2.3496		1.7899
H5	1.0838	2.4828	2.3496	1.7899

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	113.574	Br2	C1	H4	107.289
Br2	C1	H5	107.289	Cl3	C1	H4	108.695
Cl3	C1	H5	108.695	H4	C1	H5	111.330

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

using model chemistry: MP3=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: MP3=FULL/6-311G**

States and conformations

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