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	hartrees
Energy at 0K	-8208.325980
Energy at 298.15K	-8208.334609
HF Energy	-8207.517071
Nuclear repulsion energy	1141.328322

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	777	734	92.97
2	A₁	350	330	0.01
3	A₁	226	214	0.08
4	E	739	698	80.72
4	E	739	698	80.72
5	E	227	215	0.00
5	E	227	215	0.00
6	E	151	143	0.01
6	E	151	143	0.01

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.285
Cl2	0.000	0.000	2.056
Br3	0.000	1.804	-0.349
Br4	1.562	-0.902	-0.349
Br5	-1.562	-0.902	-0.349

	C1	Cl2	Br3	Br4	Br5
C1		1.7708	1.9123	1.9123	1.9123
Cl2	1.7708		3.0064	3.0064	3.0064
Br3	1.9123	3.0064		3.1249	3.1249
Br4	1.9123	3.0064	3.1249		3.1250
Br5	1.9123	3.0064	3.1249	3.1250

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.361	Cl2	C1	Br4	109.361
Cl2	C1	Br5	109.361	Br3	C1	Br4	109.581
Br3	C1	Br5	109.581	Br4	C1	Br5	109.581

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: MP2/6-31G(2df,p)

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: MP2/6-31G(2df,p)

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)