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	hartrees
Energy at 0K	-1194.676472
Energy at 298.15K	-1194.677142
HF Energy	-1193.545343
Nuclear repulsion energy	354.221763

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1851	1750	165.05
2	A₁	1087	1028	159.71
3	A₁	647	612	3.49
4	A₁	447	423	0.79
5	A₁	260	246	0.06
6	A₂	163	154	0.00
7	B₁	637	602	8.01
8	B₁	331	313	0.09
9	B₂	1423	1345	122.12
10	B₂	1034	978	104.69
11	B₂	474	448	0.42
12	B₂	189	179	2.34

Atom	y (Å)	z (Å)
C1	0.000	1.094
C2	0.000	-0.234
F3	1.079	1.823
F4	-1.079	1.823
Cl5	1.474	-1.117
Cl6	-1.474	-1.117

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3279	1.3025	1.3025	2.6566	2.6566
C2	1.3279		2.3231	2.3231	1.7179	1.7179
F3	1.3025	2.3231		2.1585	2.9659	3.8935
F4	1.3025	2.3231	2.1585		3.8935	2.9659
Cl5	2.6566	1.7179	2.9659	3.8935		2.9479
Cl6	2.6566	1.7179	3.8935	2.9659	2.9479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.907	C1	C2	Cl6	120.907
C2	C1	F3	124.047	C2	C1	F4	124.047
F3	C1	F4	111.907	Cl5	C2	Cl6	118.187

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: CCSD/6-31G(2df,p)

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: CCSD/6-31G(2df,p)

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)