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	hartrees
Energy at 0K	-1195.804351
Energy at 298.15K	-1195.804895
HF Energy	-1195.486666
Nuclear repulsion energy	350.694614

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1790	1790	150.69
2	A₁	1024	1024	176.90
3	A₁	618	618	2.89
4	A₁	430	430	0.85
5	A₁	257	257	0.19
6	A₂	154	154	0.00
7	B₁	582	582	5.56
8	B₁	321	321	0.02
9	B₂	1304	1304	140.97
10	B₂	978	978	129.93
11	B₂	456	456	0.38
12	B₂	183	183	2.30

Atom	y (Å)	z (Å)
C1	0.000	1.101
C2	0.000	-0.237
F3	1.095	1.845
F4	-1.095	1.845
Cl5	1.482	-1.129
Cl6	-1.482	-1.129

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3377	1.3244	1.3244	2.6775	2.6775
C2	1.3377		2.3527	2.3527	1.7300	1.7300
F3	1.3244	2.3527		2.1905	2.9994	3.9357
F4	1.3244	2.3527	2.1905		3.9357	2.9994
Cl5	2.6775	1.7300	2.9994	3.9357		2.9643
Cl6	2.6775	1.7300	3.9357	2.9994	2.9643

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.045	C1	C2	Cl6	121.045
C2	C1	F3	124.207	C2	C1	F4	124.207
F3	C1	F4	111.586	Cl5	C2	Cl6	117.909

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B2PLYP/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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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	1.685
2	C	-0.643
3	F	-0.397
4	F	-0.397
5	Cl	-0.124
6	Cl	-0.124

	x	y	z	Total
	0.000	0.000	-0.120	0.120
CHELPG
AIM
ESP

<r²>	237.536
(<r²>)^1/2	15.412

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B2PLYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)