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	hartrees
Energy at 0K	-3989.458483
Energy at 298.15K	-3989.461716
HF Energy	-3988.715756
Nuclear repulsion energy	611.766704

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	733	699
2	A₁	420	400
3	A₁	249	237
4	E	787	751
4	E	787	751
5	E	298	284
5	E	298	284
6	E	194	185
6	E	194	185

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.419
Br2	0.000	0.000	1.548
Cl3	0.000	1.688	-1.013
Cl4	1.462	-0.844	-1.013
Cl5	-1.462	-0.844	-1.013

	C1	Br2	Cl3	Cl4	Cl5
C1		1.9666	1.7900	1.7900	1.7900
Br2	1.9666		3.0677	3.0677	3.0677
Cl3	1.7900	3.0677		2.9244	2.9244
Cl4	1.7900	3.0677	2.9244		2.9244
Cl5	1.7900	3.0677	2.9244	2.9244

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	Cl3	109.400	Br2	C1	Cl4	109.400
Br2	C1	Cl5	109.400	Cl3	C1	Cl4	109.542
Cl3	C1	Cl5	109.542	Cl4	C1	Cl5	109.542

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

using model chemistry: QCISD(T)/cc-pVDZ

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: QCISD(T)/cc-pVDZ

States and conformations

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