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	hartrees
Energy at 0K	-796.440360
Energy at 298.15K	-796.442102
HF Energy	-795.661007
Nuclear repulsion energy	250.126814

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1181	1118	470.42
2	A₁	801	758	30.14
3	A₁	489	463	0.41
4	E	1316	1246	296.19
4	E	1316	1246	296.19
5	E	565	535	4.11
5	E	565	535	4.11
6	E	356	337	0.06
6	E	356	337	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.352
Cl2	0.000	0.000	1.409
F3	0.000	1.249	-0.809
F4	1.081	-0.624	-0.809
F5	-1.081	-0.624	-0.809

	C1	Cl2	F3	F4	F5
C1		1.7615	1.3295	1.3295	1.3295
Cl2	1.7615		2.5454	2.5454	2.5454
F3	1.3295	2.5454		2.1629	2.1629
F4	1.3295	2.5454	2.1629		2.1629
F5	1.3295	2.5454	2.1629	2.1629

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.080	Cl2	C1	F4	110.080
Cl2	C1	F5	110.080	F3	C1	F4	108.856
F3	C1	F5	108.856	F4	C1	F5	108.856

All results from a given calculation for CF₃Cl (Methane, chlorotrifluoro-)

using model chemistry: CCD/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 CF3Cl (Methane, chlorotrifluoro-)

using model chemistry: CCD/6-31G*

States and conformations

All results from a given calculation for CF₃Cl (Methane, chlorotrifluoro-)