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	hartrees
Energy at 0K	-2897.059480
Energy at 298.15K
HF Energy	-2896.862719
Nuclear repulsion energy	363.320005

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1094	1094	475.52	1.29	0.62	0.76
2	A₁	719	719	54.88	5.02	0.00	0.01
3	A₁	349	349	0.01	6.29	0.31	0.48
4	E	1272	1272	209.30	0.79	0.75	0.86
4	E	1272	1272	209.30	0.79	0.75	0.86
5	E	519	519	5.46	1.49	0.75	0.86
5	E	519	519	5.46	1.49	0.75	0.86
6	E	288	288	0.18	1.63	0.75	0.86
6	E	288	288	0.18	1.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.804
Br2	0.000	0.000	1.120
F3	0.000	1.276	-1.274
F4	1.105	-0.638	-1.274
F5	-1.105	-0.638	-1.274

	C1	Br2	F3	F4	F5
C1		1.9242	1.3598	1.3598	1.3598
Br2	1.9242		2.7127	2.7127	2.7127
F3	1.3598	2.7127		2.2102	2.2102
F4	1.3598	2.7127	2.2102		2.2102
F5	1.3598	2.7127	2.2102	2.2102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	110.207	Br2	C1	F4	110.207
Br2	C1	F5	110.207	F3	C1	F4	108.726
F3	C1	F5	108.726	F4	C1	F5	108.726

All results from a given calculation for CF₃Br (Bromotrifluoromethane)

using model chemistry: B2PLYP=FULLultrafine/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 CF3Br (Bromotrifluoromethane)

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

States and conformations

All results from a given calculation for CF₃Br (Bromotrifluoromethane)