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	hartrees
Energy at 0K	-1194.603293
Energy at 298.15K	-1194.603983
HF Energy	-1193.634703
Nuclear repulsion energy	353.216583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1847	1764	160.67
2	A₁	1072	1024	187.90
3	A₁	645	616	2.94
4	A₁	448	428	0.97
5	A₁	271	259	0.30
6	A₂	160	153	0.00
7	B₁	620	593	12.15
8	B₁	338	323	0.01
9	B₂	1396	1334	147.13
10	B₂	1035	989	116.12
11	B₂	471	450	0.45
12	B₂	193	184	2.76

Atom	y (Å)	z (Å)
C1	0.000	1.097
C2	0.000	-0.234
F3	1.084	1.831
F4	-1.084	1.831
Cl5	1.474	-1.122
Cl6	-1.474	-1.122

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3311	1.3096	1.3096	2.6632	2.6632
C2	1.3311		2.3328	2.3328	1.7201	1.7201
F3	1.3096	2.3328		2.1686	2.9784	3.9067
F4	1.3096	2.3328	2.1686		3.9067	2.9784
Cl5	2.6632	1.7201	2.9784	3.9067		2.9472
Cl6	2.6632	1.7201	3.9067	2.9784	2.9472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.055	C1	C2	Cl6	121.055
C2	C1	F3	124.112	C2	C1	F4	124.112
F3	C1	F4	111.776	Cl5	C2	Cl6	117.890

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: CCD/6-311G**

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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: CCD/6-311G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)