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	hartrees
Energy at 0K	-796.779751
Energy at 298.15K
HF Energy	-795.847399
Nuclear repulsion energy	253.648308

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1207	1207	512.02
2	A₁	843	843	38.42
3	A₁	509	509	0.09
4	E	1343	1343	314.17
4	E	1343	1343	314.17
5	E	599	599	2.89
5	E	599	599	2.89
6	E	371	371	0.02
6	E	371	371	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.347
Cl2	0.000	0.000	1.395
F3	0.000	1.226	-0.801
F4	1.062	-0.613	-0.801
F5	-1.062	-0.613	-0.801

	C1	Cl2	F3	F4	F5
C1		1.7414	1.3079	1.3079	1.3079
Cl2	1.7414		2.5151	2.5151	2.5151
F3	1.3079	2.5151		2.1242	2.1242
F4	1.3079	2.5151	2.1242		2.1242
F5	1.3079	2.5151	2.1242	2.1242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.333	Cl2	C1	F4	110.333
Cl2	C1	F5	110.333	F3	C1	F4	108.596
F3	C1	F5	108.596	F4	C1	F5	108.596

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

using model chemistry: CISD/Def2TZVPP

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: CISD/Def2TZVPP

States and conformations

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