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	hartrees
Energy at 0K	-7253.887789
Energy at 298.15K	-7253.887474
HF Energy	-7253.074702
Nuclear repulsion energy	466.639312

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1164	1082	667.68
2	A₁	795	739	55.66
3	A₁	305	283	0.14
4	E	1321	1227	290.07
4	E	1321	1227	290.07
5	E	573	533	2.49
5	E	573	533	2.49
6	E	291	270	0.04
6	E	291	270	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.178
I2	0.000	0.000	0.968
F3	0.000	1.230	-1.639
F4	1.066	-0.615	-1.639
F5	-1.066	-0.615	-1.639

	C1	I2	F3	F4	F5
C1		2.1463	1.3140	1.3140	1.3140
I2	2.1463		2.8830	2.8830	2.8830
F3	1.3140	2.8830		2.1312	2.1312
F4	1.3140	2.8830	2.1312		2.1312
F5	1.3140	2.8830	2.1312	2.1312

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	F3	110.539	I2	C1	F4	110.539
I2	C1	F5	110.539	F3	C1	F4	108.383
F3	C1	F5	108.383	F4	C1	F5	108.383

All results from a given calculation for CF₃I (trifluoroiodomethane)

using model chemistry: CID/6-311G*

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 CF3I (trifluoroiodomethane)

using model chemistry: CID/6-311G*

States and conformations

All results from a given calculation for CF₃I (trifluoroiodomethane)