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	hartrees
Energy at 0K	-2868.553937
Energy at 298.15K	-2868.558037
HF Energy	-2867.962800
Nuclear repulsion energy	328.916319

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	756	700	31.14
2	A₁	620	574	0.72
3	A₁	270	250	17.56
4	B₁	267	247	17.29
5	B₂	676	625	316.21
6	B₂	377	349	5.72

Atom	y (Å)	z (Å)
Br1	0.000	0.296
F2	0.000	-1.431
F3	1.799	0.140
F4	-1.799	0.140

	Br1	F2	F3	F4
Br1		1.7266	1.8062	1.8062
F2	1.7266		2.3888	2.3888
F3	1.8062	2.3888		3.5989
F4	1.8062	2.3888	3.5989

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	Br1	F3	85.058		F2	Br1	F4	85.058
F3	Br1	F4	170.117

All results from a given calculation for BrF₃ (Bromine trifluoride)

using model chemistry: CISD/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 BrF3 (Bromine trifluoride)

using model chemistry: CISD/6-31G*

States and conformations

All results from a given calculation for BrF₃ (Bromine trifluoride)