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	hartrees
Energy at 0K	-796.943965
Energy at 298.15K
HF Energy	-795.834678
Nuclear repulsion energy	251.189954

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1151	1100	473.22
2	A₁	804	768	34.49
3	A₁	486	464	0.00
4	E	1285	1228	293.80
4	E	1285	1228	293.80
5	E	575	549	2.52
5	E	575	549	2.52
6	E	355	339	0.03
6	E	355	339	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.351
Cl2	0.000	0.000	1.407
F3	0.000	1.239	-0.808
F4	1.073	-0.620	-0.808
F5	-1.073	-0.620	-0.808

	C1	Cl2	F3	F4	F5
C1		1.7585	1.3208	1.3208	1.3208
Cl2	1.7585		2.5386	2.5386	2.5386
F3	1.3208	2.5386		2.1463	2.1463
F4	1.3208	2.5386	2.1463		2.1463
F5	1.3208	2.5386	2.1463	2.1463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.252	Cl2	C1	F4	110.252
Cl2	C1	F5	110.252	F3	C1	F4	108.680
F3	C1	F5	108.680	F4	C1	F5	108.680

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

using model chemistry: QCISD/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: QCISD/cc-pVTZ

States and conformations

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