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	hartrees
Energy at 0K	-1196.155718
Energy at 298.15K	-1196.156319
HF Energy	-1196.155718
Nuclear repulsion energy	353.345635

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1799	1732	183.18
2	A₁	1051	1012	199.13
3	A₁	637	613	3.37
4	A₁	440	423	0.29
5	A₁	265	255	0.30
6	A₂	154	148	0.00
7	B₁	613	590	11.57
8	B₁	334	321	0.28
9	B₂	1349	1298	158.48
10	B₂	976	940	155.07
11	B₂	461	443	1.24
12	B₂	186	179	2.56

Atom	y (Å)	z (Å)
C1	0.000	1.097
C2	0.000	-0.233
F3	1.086	1.831
F4	-1.086	1.831
Cl5	1.472	-1.122
Cl6	-1.472	-1.122

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3302	1.3102	1.3102	2.6623	2.6623
C2	1.3302		2.3318	2.3318	1.7191	1.7191
F3	1.3102	2.3318		2.1710	2.9774	3.9057
F4	1.3102	2.3318	2.1710		3.9057	2.9774
Cl5	2.6623	1.7191	2.9774	3.9057		2.9434
Cl6	2.6623	1.7191	3.9057	2.9774	2.9434

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.119	C1	C2	Cl6	121.119
C2	C1	F3	124.053	C2	C1	F4	124.053
F3	C1	F4	111.895	Cl5	C2	Cl6	117.762

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B3PW91/6-311G*

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	0.600
2	C	-0.409
3	F	-0.152
4	F	-0.152
5	Cl	0.057
6	Cl	0.057

	x	y	z	Total
	0.000	0.000	0.248	0.248
CHELPG
AIM
ESP

<r²>	234.176
(<r²>)^1/2	15.303

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B3PW91/6-311G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)