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	hartrees
Energy at 0K	-3986.220612
Energy at 298.15K	-3986.223618
HF Energy	-3985.926558
Nuclear repulsion energy	594.210364

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	695	660	122.85
2	A₁	379	360	0.08
3	A₁	239	227	0.14
4	E	704	669	129.60
4	E	704	669	129.60
5	E	281	267	0.10
5	E	281	267	0.10
6	E	184	174	0.00
6	E	184	174	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.409
Br2	0.000	0.000	1.577
Cl3	0.000	1.754	-1.034
Cl4	1.519	-0.877	-1.034
Cl5	-1.519	-0.877	-1.034

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9856	1.8624	1.8624	1.8624
Br2	1.9856		3.1454	3.1454	3.1454
Cl3	1.8624	3.1454		3.0386	3.0386
Cl4	1.8624	3.1454	3.0386		3.0386
Cl5	1.8624	3.1454	3.0386	3.0386

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.611	Br2	C1	Cl4	109.611
Br2	C1	Cl5	109.611	Cl3	C1	Cl4	109.331
Cl3	C1	Cl5	109.331	Cl4	C1	Cl5	109.331

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)

using model chemistry: MP2=FULL/6-31G

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 CBrCl3 (Methane, bromotrichloro-)

using model chemistry: MP2=FULL/6-31G

States and conformations

All results from a given calculation for CBrCl₃ (Methane, bromotrichloro-)