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	hartrees
Energy at 0K	-8215.222676
Energy at 298.15K	-8215.231249
HF Energy	-8214.492874
Nuclear repulsion energy	1123.786644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	764	733	96.65
2	A₁	341	327	0.00
3	A₁	220	211	0.19
4	E	705	676	90.34
4	E	705	676	90.34
5	E	225	215	0.08
5	E	225	215	0.08
6	E	148	142	0.02
6	E	148	142	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.297
Cl2	0.000	0.000	2.077
Br3	0.000	1.835	-0.353
Br4	1.589	-0.917	-0.353
Br5	-1.589	-0.917	-0.353

	C1	Cl2	Br3	Br4	Br5
C1		1.7797	1.9465	1.9465	1.9465
Cl2	1.7797		3.0447	3.0447	3.0447
Br3	1.9465	3.0447		3.1779	3.1779
Br4	1.9465	3.0447	3.1779		3.1779
Br5	1.9465	3.0447	3.1779	3.1779

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.511	Cl2	C1	Br4	109.511
Cl2	C1	Br5	109.511	Br3	C1	Br4	109.432
Br3	C1	Br5	109.432	Br4	C1	Br5	109.432

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: MP2/aug-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 CBr3Cl (tribromochloromethane)

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)