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	hartrees
Energy at 0K	-634.380405
Energy at 298.15K	-634.379977
HF Energy	-632.982458
Nuclear repulsion energy	285.842112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1090	1038	577.55
2	A₁	756	720	45.62
3	A₁	301	286	0.03
4	E	1216	1157	242.25
4	E	1216	1157	242.25
5	E	545	518	0.82
5	E	545	518	0.82
6	E	276	263	0.00
6	E	276	263	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-1.174
I2	0.000	0.000	0.959
F3	0.000	1.246	-1.622
F4	1.079	-0.623	-1.622
F5	-1.079	-0.623	-1.622

	C1	I2	F3	F4	F5
C1		2.1332	1.3240	1.3240	1.3240
I2	2.1332		2.8660	2.8660	2.8660
F3	1.3240	2.8660		2.1580	2.1580
F4	1.3240	2.8660	2.1580		2.1580
F5	1.3240	2.8660	2.1580	2.1580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
I2	C1	F3	109.772	I2	C1	F4	109.772
I2	C1	F5	109.772	F3	C1	F4	109.169
F3	C1	F5	109.169	F4	C1	F5	109.169

All results from a given calculation for CF₃I (trifluoroiodomethane)

using model chemistry: MP2/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CF₃I (trifluoroiodomethane)