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	hartrees
Energy at 0K	-792.150367
Energy at 298.15K
HF Energy	-791.641810
Nuclear repulsion energy	240.999243

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1072	1039	437.38
2	A₁	713	691	83.68
3	A₁	390	378	2.26
4	E	1335	1294	248.13
4	E	1335	1294	248.13
5	E	527	510	10.97
5	E	527	510	10.97
6	E	308	298	1.08
6	E	308	298	1.08

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.405
Cl2	0.000	0.000	1.487
F3	0.000	1.281	-0.846
F4	1.109	-0.641	-0.846
F5	-1.109	-0.641	-0.846

	C1	Cl2	F3	F4	F5
C1		1.8925	1.3548	1.3548	1.3548
Cl2	1.8925		2.6619	2.6619	2.6619
F3	1.3548	2.6619		2.2188	2.2188
F4	1.3548	2.6619	2.2188		2.2188
F5	1.3548	2.6619	2.2188	2.2188

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	108.991	Cl2	C1	F4	108.991
Cl2	C1	F5	108.991	F3	C1	F4	109.947
F3	C1	F5	109.947	F4	C1	F5	109.947

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

using model chemistry: QCISD/3-21G

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/3-21G

States and conformations

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