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	hartrees
Energy at 0K	-1195.968391
Energy at 298.15K	-1195.968988
HF Energy	-1195.584412
Nuclear repulsion energy	353.168462

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1786	1714	171.21
2	A₁	1047	1005	177.60
3	A₁	633	607	3.37
4	A₁	437	419	0.54
5	A₁	258	247	0.11
6	A₂	156	150	0.00
7	B₁	601	576	5.67
8	B₁	327	313	0.00
9	B₂	1341	1286	141.21
10	B₂	981	941	125.42
11	B₂	461	442	0.62
12	B₂	187	179	2.24

Atom	y (Å)	z (Å)
C1	0.000	1.094
C2	0.000	-0.236
F3	1.086	1.830
F4	-1.086	1.830
Cl5	1.475	-1.120
Cl6	-1.475	-1.120

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3295	1.3122	1.3122	2.6601	2.6601
C2	1.3295		2.3342	2.3342	1.7196	1.7196
F3	1.3122	2.3342		2.1719	2.9760	3.9068
F4	1.3122	2.3342	2.1719		3.9068	2.9760
Cl5	2.6601	1.7196	2.9760	3.9068		2.9497
Cl6	2.6601	1.7196	3.9068	2.9760	2.9497

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.946	C1	C2	Cl6	120.946
C2	C1	F3	124.151	C2	C1	F4	124.151
F3	C1	F4	111.699	Cl5	C2	Cl6	118.108

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B2PLYP/cc-pVTZ

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	0.395
2	C	-0.095
3	F	-0.113
4	F	-0.113
5	Cl	-0.037
6	Cl	-0.037

	x	y	z	Total
	0.000	0.000	0.069	0.069
CHELPG
AIM
ESP

<r²>	234.215
(<r²>)^1/2	15.304

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)