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	hartrees
Energy at 0K	-8180.530468
Energy at 298.15K	-8180.538910
HF Energy	-8180.306446
Nuclear repulsion energy	1121.744369

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	699	699	122.58
2	A₁	330	330	0.13
3	A₁	209	209	0.02
4	E	704	704	104.76
4	E	704	704	104.73
5	E	214	214	0.01
5	E	214	214	0.01
6	E	141	141	0.00
6	E	141	141	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.301
Cl2	0.000	0.000	2.097
Br3	0.000	1.834	-0.357
Br4	1.588	-0.917	-0.357
Br5	-1.588	-0.917	-0.357

	C1	Cl2	Br3	Br4	Br5
C1		1.7962	1.9482	1.9482	1.9482
Cl2	1.7962		3.0633	3.0633	3.0633
Br3	1.9482	3.0633		3.1765	3.1765
Br4	1.9482	3.0633	3.1765		3.1765
Br5	1.9482	3.0633	3.1765	3.1765

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Br3	109.720	Cl2	C1	Br4	109.720
Cl2	C1	Br5	109.720	Br3	C1	Br4	109.221
Br3	C1	Br5	109.221	Br4	C1	Br5	109.221

All results from a given calculation for CBr₃Cl (tribromochloromethane)

using model chemistry: B2PLYP=FULL/3-21G*

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: B2PLYP=FULL/3-21G*

States and conformations

All results from a given calculation for CBr₃Cl (tribromochloromethane)