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	hartrees
Energy at 0K	-3970.748998
Energy at 298.15K	-3970.752211
HF Energy	-3970.077992
Nuclear repulsion energy	612.718788

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	757	724	103.63
2	A₁	416	398	0.00
3	A₁	254	243	0.14
4	E	757	724	109.38
4	E	757	724	109.38
5	E	298	285	0.03
5	E	298	285	0.03
6	E	197	188	0.00
6	E	197	188	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.415
Br2	0.000	0.000	1.539
Cl3	0.000	1.692	-1.007
Cl4	1.466	-0.846	-1.007
Cl5	-1.466	-0.846	-1.007

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9536	1.7929	1.7929	1.7929
Br2	1.9536		3.0570	3.0570	3.0570
Cl3	1.7929	3.0570		2.9310	2.9310
Cl4	1.7929	3.0570	2.9310		2.9310
Cl5	1.7929	3.0570	2.9310	2.9310

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.292	Br2	C1	Cl4	109.292
Br2	C1	Cl5	109.292	Cl3	C1	Cl4	109.650
Cl3	C1	Cl5	109.650	Cl4	C1	Cl5	109.650

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

using model chemistry: CCD/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 CBrCl3 (Methane, bromotrichloro-)

using model chemistry: CCD/3-21G*

States and conformations

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