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	hartrees
Energy at 0K	-796.027218
Energy at 298.15K
HF Energy	-795.509678
Nuclear repulsion energy	240.146427

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	1055	1003	442.06	1.99	0.63	0.77
2	A₁	703	668	43.37	5.38	0.00	0.00
3	A₁	435	413	0.13	8.02	0.38	0.56
4	E	1196	1136	270.51	0.55	0.75	0.86
4	E	1196	1136	270.51	0.55	0.75	0.86
5	E	500	475	8.10	2.63	0.75	0.86
5	E	500	475	8.10	2.63	0.75	0.86
6	E	321	305	0.15	2.91	0.75	0.86
6	E	321	305	0.15	2.91	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.362
Cl2	0.000	0.000	1.466
F3	0.000	1.300	-0.842
F4	1.126	-0.650	-0.842
F5	-1.126	-0.650	-0.842

	C1	Cl2	F3	F4	F5
C1		1.8278	1.3862	1.3862	1.3862
Cl2	1.8278		2.6493	2.6493	2.6493
F3	1.3862	2.6493		2.2522	2.2522
F4	1.3862	2.6493	2.2522		2.2522
F5	1.3862	2.6493	2.2522	2.2522

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.278	Cl2	C1	F4	110.278
Cl2	C1	F5	110.278	F3	C1	F4	108.652
F3	C1	F5	108.652	F4	C1	F5	108.652

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

using model chemistry: MP2=FULL/6-31G

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: MP2=FULL/6-31G

States and conformations

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