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	hartrees
Energy at 0K	-7254.026304
Energy at 298.15K	-7254.025867
HF Energy	-7253.073025
Nuclear repulsion energy	462.443761

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1086	1032	631.09
2	A₁	755	717	57.78
3	A₁	287	273	0.18
4	E	1237	1175	274.29
4	E	1237	1175	274.29
5	E	547	520	1.61
5	E	547	520	1.61
6	E	278	265	0.02
6	E	278	265	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.189
I2	0.000	0.000	0.975
F3	0.000	1.245	-1.651
F4	1.079	-0.623	-1.651
F5	-1.079	-0.623	-1.651

	C1	I2	F3	F4	F5
C1		2.1642	1.3283	1.3283	1.3283
I2	2.1642		2.9065	2.9065	2.9065
F3	1.3283	2.9065		2.1571	2.1571
F4	1.3283	2.9065	2.1571		2.1571
F5	1.3283	2.9065	2.1571	2.1571

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	F3	110.352	I2	C1	F4	110.352
I2	C1	F5	110.352	F3	C1	F4	108.576
F3	C1	F5	108.576	F4	C1	F5	108.576

All results from a given calculation for CF₃I (trifluoroiodomethane)

using model chemistry: MP2/6-311G*

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: MP2/6-311G*

States and conformations

All results from a given calculation for CF₃I (trifluoroiodomethane)