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	hartrees
Energy at 0K	-796.467776
Energy at 298.15K
HF Energy	-795.661015
Nuclear repulsion energy	250.141453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1176	1117	470.20
2	A₁	798	758	30.70
3	A₁	488	464	0.35
4	E	1310	1245	295.79
4	E	1310	1245	295.79
5	E	563	535	4.03
5	E	563	535	4.03
6	E	356	338	0.07
6	E	356	338	0.07

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.345
Cl2	0.000	0.000	1.407
F3	0.000	1.248	-0.809
F4	1.081	-0.624	-0.809
F5	-1.081	-0.624	-0.809

	C1	Cl2	F3	F4	F5
C1		1.7518	1.3319	1.3319	1.3319
Cl2	1.7518		2.5436	2.5436	2.5436
F3	1.3319	2.5436		2.1621	2.1621
F4	1.3319	2.5436	2.1621		2.1621
F5	1.3319	2.5436	2.1621	2.1621

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.405	Cl2	C1	F4	110.405
Cl2	C1	F5	110.405	F3	C1	F4	108.521
F3	C1	F5	108.521	F4	C1	F5	108.521

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

using model chemistry: CCSD=FULL/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: CCSD=FULL/6-31G*

States and conformations

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