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	hartrees
Energy at 0K	-796.485990
Energy at 298.15K	-796.487740
HF Energy	-795.673930
Nuclear repulsion energy	250.250233

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1167	1087	482.34
2	A₁	798	744	24.85
3	A₁	493	459	1.01
4	E	1271	1184	312.89
4	E	1271	1184	312.89
5	E	561	522	3.27
5	E	561	522	3.27
6	E	358	334	0.00
6	E	358	334	0.00

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.349
Cl2	0.000	0.000	1.408
F3	0.000	1.248	-0.809
F4	1.081	-0.624	-0.809
F5	-1.081	-0.624	-0.809

	C1	Cl2	F3	F4	F5
C1		1.7568	1.3301	1.3301	1.3301
Cl2	1.7568		2.5436	2.5436	2.5436
F3	1.3301	2.5436		2.1620	2.1620
F4	1.3301	2.5436	2.1620		2.1620
F5	1.3301	2.5436	2.1620	2.1620

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.210	Cl2	C1	F4	110.210
Cl2	C1	F5	110.210	F3	C1	F4	108.722
F3	C1	F5	108.722	F4	C1	F5	108.722

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

using model chemistry: MP3=FULL/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: MP3=FULL/6-31+G**

States and conformations

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