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	hartrees
Energy at 0K	-796.635666
Energy at 298.15K
HF Energy	-795.725840
Nuclear repulsion energy	248.662037

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	1097	1063	469.74	1.49	0.68	0.81
2	A₁	765	741	24.45	9.27	0.00	0.01
3	A₁	480	465	0.13	4.82	0.26	0.41
4	E	1192	1155	282.18	1.50	0.75	0.86
4	E	1192	1155	282.18	1.50	0.75	0.86
5	E	546	529	1.39	0.82	0.75	0.86
5	E	546	529	1.39	0.82	0.75	0.86
6	E	347	337	0.00	0.85	0.75	0.86
6	E	347	337	0.00	0.85	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.343
Cl2	0.000	0.000	1.412
F3	0.000	1.258	-0.813
F4	1.089	-0.629	-0.813
F5	-1.089	-0.629	-0.813

	C1	Cl2	F3	F4	F5
C1		1.7551	1.3427	1.3427	1.3427
Cl2	1.7551		2.5557	2.5557	2.5557
F3	1.3427	2.5557		2.1787	2.1787
F4	1.3427	2.5557	2.1787		2.1787
F5	1.3427	2.5557	2.1787	2.1787

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	F3	110.470	Cl2	C1	F4	110.470
Cl2	C1	F5	110.470	F3	C1	F4	108.455
F3	C1	F5	108.455	F4	C1	F5	108.455

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

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