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	hartrees
Energy at 0K	-7254.022331
Energy at 298.15K	-7254.021923
HF Energy	-7253.073618
Nuclear repulsion energy	462.823190

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1121	1070	603.65
2	A₁	766	731	53.10
3	A₁	288	275	0.02
4	E	1277	1219	269.76
4	E	1277	1219	269.76
5	E	555	530	2.16
5	E	555	530	2.16
6	E	280	267	0.03
6	E	280	267	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.189
I2	0.000	0.000	0.976
F3	0.000	1.241	-1.652
F4	1.074	-0.620	-1.652
F5	-1.074	-0.620	-1.652

	C1	I2	F3	F4	F5
C1		2.1655	1.3241	1.3241	1.3241
I2	2.1655		2.9066	2.9066	2.9066
F3	1.3241	2.9066		2.1487	2.1487
F4	1.3241	2.9066	2.1487		2.1487
F5	1.3241	2.9066	2.1487	2.1487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	F3	110.468	I2	C1	F4	110.468
I2	C1	F5	110.468	F3	C1	F4	108.456
F3	C1	F5	108.456	F4	C1	F5	108.456

All results from a given calculation for CF₃I (trifluoroiodomethane)

using model chemistry: CCD/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: CCD/6-311G*

States and conformations

All results from a given calculation for CF₃I (trifluoroiodomethane)