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	hartrees
Energy at 0K	-1195.714394
Energy at 298.15K	-1195.714936
HF Energy	-1195.414594
Nuclear repulsion energy	351.701095

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1795	1707	154.91
2	A₁	1038	987	185.51
3	A₁	623	593	3.18
4	A₁	435	414	0.89
5	A₁	264	251	0.21
6	A₂	153	145	0.00
7	B₁	571	543	8.03
8	B₁	321	306	0.01
9	B₂	1326	1261	158.11
10	B₂	990	942	136.85
11	B₂	456	434	0.60
12	B₂	187	178	2.65

Atom	y (Å)	z (Å)
C1	0.000	1.095
C2	0.000	-0.239
F3	1.095	1.839
F4	-1.095	1.839
Cl5	1.477	-1.125
Cl6	-1.477	-1.125

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3342	1.3237	1.3237	2.6668	2.6668
C2	1.3342		2.3488	2.3488	1.7227	1.7227
F3	1.3237	2.3488		2.1900	2.9885	3.9246
F4	1.3237	2.3488	2.1900		3.9246	2.9885
Cl5	2.6668	1.7227	2.9885	3.9246		2.9549
Cl6	2.6668	1.7227	3.9246	2.9885	2.9549

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.948	C1	C2	Cl6	120.948
C2	C1	F3	124.188	C2	C1	F4	124.188
F3	C1	F4	111.624	Cl5	C2	Cl6	118.104

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B2PLYP=FULL/6-31+G**

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: B2PLYP=FULL/6-31+G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)