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	hartrees
Energy at 0K	-796.772393
Energy at 298.15K
HF Energy	-795.836061
Nuclear repulsion energy	253.544877

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1207	1122	516.46
2	A₁	844	785	39.87
3	A₁	509	473	0.06
4	E	1350	1255	316.55
4	E	1350	1255	316.55
5	E	600	558	3.16
5	E	600	558	3.16
6	E	370	344	0.04
6	E	370	344	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.349
Cl2	0.000	0.000	1.396
F3	0.000	1.226	-0.802
F4	1.062	-0.613	-0.802
F5	-1.062	-0.613	-0.802

	C1	Cl2	F3	F4	F5
C1		1.7456	1.3072	1.3072	1.3072
Cl2	1.7456		2.5168	2.5168	2.5168
F3	1.3072	2.5168		2.1243	2.1243
F4	1.3072	2.5168	2.1243		2.1243
F5	1.3072	2.5168	2.1243	2.1243

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.239	Cl2	C1	F4	110.239
Cl2	C1	F5	110.239	F3	C1	F4	108.693
F3	C1	F5	108.693	F4	C1	F5	108.693

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

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

States and conformations

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