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	hartrees
Energy at 0K	-797.073183
Energy at 298.15K	-797.067885
HF Energy	-795.663200
Nuclear repulsion energy	253.605014

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	1256	1183	571.33	2.85	0.75	0.86
2	A₁	860	811	41.08	4.95	0.03	0.05
3	A₁	520	490	0.40	5.13	0.35	0.52
4	E	1419	1337	347.57	0.65	0.75	0.86
4	E	1419	1337	347.57	0.65	0.75	0.86
5	E	609	574	5.46	1.04	0.75	0.86
5	E	609	574	5.46	1.04	0.75	0.86
6	E	381	359	0.14	1.21	0.75	0.86
6	E	381	359	0.14	1.21	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	110.257	Cl2	C1	F4	110.257
Cl2	C1	F5	110.257	F3	C1	F4	108.674
F3	C1	F5	108.674	F4	C1	F5	108.674

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

using model chemistry: G3MP2

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: G3MP2

States and conformations

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