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	hartrees
Energy at 0K	-3969.838963
Energy at 298.15K	-3969.841934
HF Energy	-3969.533748
Nuclear repulsion energy	590.817146

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	734	713	104.53
2	A₁	366	356	0.01
3	A₁	234	227	0.81
4	E	703	683	105.07
4	E	703	683	105.07
5	E	270	263	0.11
5	E	270	263	0.11
6	E	179	174	0.01
6	E	179	174	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.382
Br2	0.000	0.000	1.594
Cl3	0.000	1.757	-1.049
Cl4	1.522	-0.878	-1.049
Cl5	-1.522	-0.878	-1.049

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9757	1.8793	1.8793	1.8793
Br2	1.9757		3.1735	3.1735	3.1735
Cl3	1.8793	3.1735		3.0431	3.0431
Cl4	1.8793	3.1735	3.0431		3.0431
Cl5	1.8793	3.1735	3.0431	3.0431

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	110.791	Br2	C1	Cl4	110.791
Br2	C1	Cl5	110.791	Cl3	C1	Cl4	108.120
Cl3	C1	Cl5	108.120	Cl4	C1	Cl5	108.120

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-)