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	hartrees
Energy at 0K	-796.075244
Energy at 298.15K
HF Energy	-795.578611
Nuclear repulsion energy	237.700964

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	994	960	397.66	2.75	0.58	0.74
2	A₁	667	644	25.09	6.85	0.00	0.00
3	A₁	415	401	0.95	8.42	0.40	0.57
4	E	1069	1032	305.56	1.01	0.75	0.86
4	E	1069	1032	305.56	1.01	0.75	0.86
5	E	483	466	5.55	2.83	0.75	0.86
5	E	483	466	5.55	2.83	0.75	0.86
6	E	305	294	0.17	3.00	0.75	0.86
6	E	305	294	0.17	3.00	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.350
Cl2	0.000	0.000	1.481
F3	0.000	1.312	-0.855
F4	1.136	-0.656	-0.855
F5	-1.136	-0.656	-0.855

	C1	Cl2	F3	F4	F5
C1		1.8312	1.4058	1.4058	1.4058
Cl2	1.8312		2.6789	2.6789	2.6789
F3	1.4058	2.6789		2.2729	2.2729
F4	1.4058	2.6789	2.2729		2.2729
F5	1.4058	2.6789	2.2729	2.2729

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	111.019	Cl2	C1	F4	111.019
Cl2	C1	F5	111.019	F3	C1	F4	107.880
F3	C1	F5	107.880	F4	C1	F5	107.880

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

using model chemistry: MP2/SDD

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/SDD

States and conformations

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