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	hartrees
Energy at 0K	-796.480308
Energy at 298.15K
HF Energy	-795.672723
Nuclear repulsion energy	249.282477

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1150	1087	477.29
2	A₁	785	742	21.37
3	A₁	487	460	0.98
4	E	1242	1174	315.90
4	E	1242	1174	315.90
5	E	552	522	2.96
5	E	552	522	2.96
6	E	352	333	0.00
6	E	352	333	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.338
Cl2	0.000	0.000	1.409
F3	0.000	1.254	-0.812
F4	1.086	-0.627	-0.812
F5	-1.086	-0.627	-0.812

	C1	Cl2	F3	F4	F5
C1		1.7463	1.3408	1.3408	1.3408
Cl2	1.7463		2.5501	2.5501	2.5501
F3	1.3408	2.5501		2.1725	2.1725
F4	1.3408	2.5501	2.1725		2.1725
F5	1.3408	2.5501	2.1725	2.1725

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.700	Cl2	C1	F4	110.700
Cl2	C1	F5	110.700	F3	C1	F4	108.215
F3	C1	F5	108.215	F4	C1	F5	108.215

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

using model chemistry: QCISD/6-31+G**

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: QCISD/6-31+G**

States and conformations

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