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	hartrees
Energy at 0K	-797.014525
Energy at 298.15K
HF Energy	-795.839000
Nuclear repulsion energy	250.342757

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	1121	1087
2	A₁	785	762
3	A₁	475	461
4	E	1240	1203
4	E	1240	1203
5	E	562	545
5	E	561	545
6	E	348	338
6	E	348	338

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.349
Cl2	0.000	0.000	1.410
F3	0.000	1.244	-0.810
F4	1.078	-0.622	-0.810
F5	-1.078	-0.622	-0.810

	C1	Cl2	F3	F4	F5
C1		1.7599	1.3270	1.3270	1.3270
Cl2	1.7599		2.5458	2.5458	2.5458
F3	1.3270	2.5458		2.1553	2.1553
F4	1.3270	2.5458	2.1553		2.1553
F5	1.3270	2.5458	2.1553	2.1553

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.330	Cl2	C1	F4	110.330
Cl2	C1	F5	110.330	F3	C1	F4	108.599
F3	C1	F5	108.599	F4	C1	F5	108.599

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

using model chemistry: CCSD(T)/aug-cc-pVTZ

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)/aug-cc-pVTZ

States and conformations

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