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	hartrees
Energy at 0K	-8207.499755
Energy at 298.15K	-8207.508434
HF Energy	-8206.969827
Nuclear repulsion energy	1129.868636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	845	781	100.41
2	A₁	354	327	0.07
3	A₁	228	210	0.01
4	E	745	688	90.86
4	E	745	688	90.88
5	E	233	216	0.00
5	E	233	216	0.00
6	E	158	146	0.00
6	E	158	146	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.309
Cl2	0.000	0.000	2.064
Br3	0.000	1.825	-0.352
Br4	1.580	-0.912	-0.352
Br5	-1.580	-0.912	-0.352

	C1	Cl2	Br3	Br4	Br5
C1		1.7555	1.9406	1.9406	1.9406
Cl2	1.7555		3.0278	3.0278	3.0278
Br3	1.9406	3.0278		3.1603	3.1603
Br4	1.9406	3.0278	3.1603		3.1603
Br5	1.9406	3.0278	3.1603	3.1603

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.909	Cl2	C1	Br4	109.909
Cl2	C1	Br5	109.909	Br3	C1	Br4	109.030
Br3	C1	Br5	109.030	Br4	C1	Br5	109.030

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: CID/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 CBr3Cl (tribromochloromethane)

using model chemistry: CID/6-31G*

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)