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	hartrees
Energy at 0K	-796.841013
Energy at 298.15K
HF Energy	-795.819295
Nuclear repulsion energy	249.704173

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1128	1079
2	A₁	792	757
3	A₁	479	458
4	E	1247	1193
4	E	1247	1192
5	E	570	545
5	E	570	545
6	E	353	337
6	E	353	337

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.351
Cl2	0.000	0.000	1.418
F3	0.000	1.245	-0.814
F4	1.078	-0.623	-0.814
F5	-1.078	-0.623	-0.814

	C1	Cl2	F3	F4	F5
C1		1.7690	1.3284	1.3284	1.3284
Cl2	1.7690		2.5559	2.5559	2.5559
F3	1.3284	2.5559		2.1565	2.1565
F4	1.3284	2.5559	2.1565		2.1565
F5	1.3284	2.5559	2.1565	2.1565

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.402	Cl2	C1	F4	110.402
Cl2	C1	F5	110.402	F3	C1	F4	108.525
F3	C1	F5	108.525	F4	C1	F5	108.525

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

using model chemistry: CCSD(T)=FULL/TZVP

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(T)=FULL/TZVP

States and conformations

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