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	hartrees
Energy at 0K	-1192.750774
Energy at 298.15K	-1192.751318
HF Energy	-1192.750774
Nuclear repulsion energy	355.304663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1777	1748	165.59
2	A₁	1055	1038	177.60
3	A₁	634	624	3.15
4	A₁	438	431	0.38
5	A₁	260	256	0.36
6	A₂	152	149	0.00
7	B₁	597	587	9.79
8	B₁	322	317	0.81
9	B₂	1355	1333	158.49
10	B₂	972	956	160.26
11	B₂	454	447	1.13
12	B₂	177	174	2.43

Atom	y (Å)	z (Å)
C1	0.000	1.093
C2	0.000	-0.239
F3	1.084	1.818
F4	-1.084	1.818
Cl5	1.464	-1.113
Cl6	-1.464	-1.113

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3311	1.3040	1.3040	2.6472	2.6472
C2	1.3311		2.3244	2.3244	1.7053	1.7053
F3	1.3040	2.3244		2.1677	2.9551	3.8833
F4	1.3040	2.3244	2.1677		3.8833	2.9551
Cl5	2.6472	1.7053	2.9551	3.8833		2.9283
Cl6	2.6472	1.7053	3.8833	2.9551	2.9283

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.844	C1	C2	Cl6	120.844
C2	C1	F3	123.780	C2	C1	F4	123.780
F3	C1	F4	112.440	Cl5	C2	Cl6	118.312

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: LSDA/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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Number	Element	Mulliken
1	C	0.526
2	C	-0.480
3	F	-0.111
4	F	-0.111
5	Cl	0.088
6	Cl	0.088

	x	y	z	Total
	0.000	0.000	0.295	0.295
CHELPG
AIM
ESP

<r²>	231.863
(<r²>)^1/2	15.227

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: LSDA/6-311G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)