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	hartrees
Energy at 0K	-8215.801527
Energy at 298.15K	-8215.810114
HF Energy	-8214.590911
Nuclear repulsion energy	1130.984556

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	794	794	87.34
2	A₁	344	344	0.00
3	A₁	218	218	0.06
4	E	733	733	80.54
4	E	733	733	80.53
5	E	223	223	0.00
5	E	223	223	0.00
6	E	146	146	0.01
6	E	146	146	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.295
Cl2	0.000	0.000	2.059
Br3	0.000	1.824	-0.350
Br4	1.580	-0.912	-0.350
Br5	-1.580	-0.912	-0.350

	C1	Cl2	Br3	Br4	Br5
C1		1.7635	1.9350	1.9350	1.9350
Cl2	1.7635		3.0218	3.0218	3.0218
Br3	1.9350	3.0218		3.1596	3.1596
Br4	1.9350	3.0218	3.1596		3.1596
Br5	1.9350	3.0218	3.1596	3.1596

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.487	Cl2	C1	Br4	109.487
Cl2	C1	Br5	109.487	Br3	C1	Br4	109.455
Br3	C1	Br5	109.455	Br4	C1	Br5	109.455

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: CCSD/Def2TZVPP

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 CBr3Cl (tribromochloromethane)

using model chemistry: CCSD/Def2TZVPP

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)