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	hartrees
Energy at 0K	-796.453462
Energy at 298.15K
HF Energy	-795.660540
Nuclear repulsion energy	249.902441

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	1153	1078	487.69	1.41	0.63	0.77
2	A₁	792	740	33.10	4.56	0.00	0.01
3	A₁	486	454	0.03	4.79	0.36	0.53
4	E	1284	1200	300.43	0.40	0.75	0.86
4	E	1284	1200	300.43	0.40	0.75	0.86
5	E	560	523	3.46	1.38	0.75	0.86
5	E	560	523	3.46	1.38	0.75	0.86
6	E	355	331	0.05	1.49	0.75	0.86
6	E	355	331	0.05	1.49	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.344
Cl2	0.000	0.000	1.406
F3	0.000	1.251	-0.809
F4	1.084	-0.626	-0.809
F5	-1.084	-0.626	-0.809

	C1	Cl2	F3	F4	F5
C1		1.7495	1.3349	1.3349	1.3349
Cl2	1.7495		2.5435	2.5435	2.5435
F3	1.3349	2.5435		2.1673	2.1673
F4	1.3349	2.5435	2.1673		2.1673
F5	1.3349	2.5435	2.1673	2.1673

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.383	Cl2	C1	F4	110.383
Cl2	C1	F5	110.383	F3	C1	F4	108.544
F3	C1	F5	108.544	F4	C1	F5	108.544

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-)