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	hartrees
Energy at 0K	-792.355958
Energy at 298.15K
HF Energy	-791.757827
Nuclear repulsion energy	245.873197

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	1095	1038	462.76	1.42	0.48	0.65
2	A₁	736	698	68.58	4.91	0.01	0.01
3	A₁	451	428	0.37	6.74	0.37	0.54
4	E	1299	1232	240.35	0.53	0.75	0.86
4	E	1299	1232	240.35	0.53	0.75	0.86
5	E	539	511	9.09	1.79	0.75	0.86
5	E	539	511	9.09	1.79	0.75	0.86
6	E	338	320	0.30	2.01	0.75	0.86
6	E	338	320	0.30	2.01	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.347
Cl2	0.000	0.000	1.417
F3	0.000	1.280	-0.815
F4	1.109	-0.640	-0.815
F5	-1.109	-0.640	-0.815

	C1	Cl2	F3	F4	F5
C1		1.7648	1.3628	1.3628	1.3628
Cl2	1.7648		2.5734	2.5734	2.5734
F3	1.3628	2.5734		2.2171	2.2171
F4	1.3628	2.5734	2.2171		2.2171
F5	1.3628	2.5734	2.2171	2.2171

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.072	Cl2	C1	F4	110.072
Cl2	C1	F5	110.072	F3	C1	F4	108.864
F3	C1	F5	108.864	F4	C1	F5	108.864

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

using model chemistry: MP2=FULL/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: MP2=FULL/3-21G*

States and conformations

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