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	hartrees
Energy at 0K	-1196.025434
Energy at 298.15K	-1196.026006
HF Energy	-1196.025434
Nuclear repulsion energy	352.829022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1811	1733	162.13
2	A₁	1065	1019	173.24
3	A₁	634	606	3.68
4	A₁	439	420	0.34
5	A₁	263	252	0.07
6	A₂	154	147	0.00
7	B₁	598	572	9.67
8	B₁	331	317	0.03
9	B₂	1390	1330	135.18
10	B₂	990	947	144.54
11	B₂	460	441	1.12
12	B₂	186	178	2.34

Atom	y (Å)	z (Å)
C1	0.000	1.098
C2	0.000	-0.236
F3	1.090	1.831
F4	-1.090	1.831
Cl5	1.475	-1.121
Cl6	-1.475	-1.121

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3345	1.3132	1.3132	2.6648	2.6648
C2	1.3345		2.3368	2.3368	1.7201	1.7201
F3	1.3132	2.3368		2.1795	2.9771	3.9106
F4	1.3132	2.3368	2.1795		3.9106	2.9771
Cl5	2.6648	1.7201	2.9771	3.9106		2.9501
Cl6	2.6648	1.7201	3.9106	2.9771	2.9501

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.960	C1	C2	Cl6	120.960
C2	C1	F3	123.916	C2	C1	F4	123.916
F3	C1	F4	112.169	Cl5	C2	Cl6	118.079

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3PW91/6-31G*

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	0.648
2	C	-0.394
3	F	-0.214
4	F	-0.214
5	Cl	0.087
6	Cl	0.087

	x	y	z	Total
	0.000	0.000	0.408	0.408
CHELPG
AIM
ESP

<r²>	234.084
(<r²>)^1/2	15.300

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3PW91/6-31G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)