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	hartrees
Energy at 0K	-1196.126164
Energy at 298.15K	-1196.126556
HF Energy	-1196.126164
Nuclear repulsion energy	343.275842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1792	1724	96.38
2	A₁	990	953	141.40
3	A₁	578	556	5.68
4	A₁	401	385	0.67
5	A₁	247	237	0.05
6	A₂	148	142	0.00
7	B₁	571	549	12.29
8	B₁	325	313	0.08
9	B₂	1282	1233	99.01
10	B₂	911	876	148.74
11	B₂	437	421	1.82
12	B₂	177	170	3.67

Atom	y (Å)	z (Å)
C1	0.000	1.110
C2	0.000	-0.223
F3	1.127	1.875
F4	-1.127	1.875
Cl5	1.520	-1.149
Cl6	-1.520	-1.149

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3328	1.3620	1.3620	2.7229	2.7229
C2	1.3328		2.3810	2.3810	1.7800	1.7800
F3	1.3620	2.3810		2.2544	3.0492	4.0187
F4	1.3620	2.3810	2.2544		4.0187	3.0492
Cl5	2.7229	1.7800	3.0492	4.0187		3.0396
Cl6	2.7229	1.7800	4.0187	3.0492	3.0396

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.368	C1	C2	Cl6	121.368
C2	C1	F3	124.147	C2	C1	F4	124.147
F3	C1	F4	111.707	Cl5	C2	Cl6	117.263

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: TPSSh/6-31G

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	0.684
2	C	-0.564
3	F	-0.251
4	F	-0.251
5	Cl	0.190
6	Cl	0.190

	x	y	z	Total
	0.000	0.000	-0.158	0.158
CHELPG
AIM
ESP

<r²>	246.306
(<r²>)^1/2	15.694

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)