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	hartrees
Energy at 0K	-792.336855
Energy at 298.15K
HF Energy	-791.757794
Nuclear repulsion energy	245.844802

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	1041	462.95	1.42	0.48	0.65
2	A₁	736	700	68.50	4.92	0.01	0.01
3	A₁	452	430	0.37	6.74	0.37	0.54
4	E	1299	1236	240.52	0.53	0.75	0.86
4	E	1299	1236	240.52	0.53	0.75	0.86
5	E	539	512	9.10	1.79	0.75	0.86
5	E	539	512	9.10	1.79	0.75	0.86
6	E	338	321	0.30	2.01	0.75	0.86
6	E	338	321	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		1.7649	1.3630	1.3630	1.3630
Cl2	1.7649		2.5737	2.5737	2.5737
F3	1.3630	2.5737		2.2173	2.2173
F4	1.3630	2.5737	2.2173		2.2173
F5	1.3630	2.5737	2.2173	2.2173

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.076	Cl2	C1	F4	110.076
Cl2	C1	F5	110.076	F3	C1	F4	108.860
F3	C1	F5	108.860	F4	C1	F5	108.860

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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