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	hartrees
Energy at 0K	-1196.251710
Energy at 298.15K	-1196.252300
HF Energy	-1196.251710
Nuclear repulsion energy	354.229268

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1839	1746	167.99
2	A₁	1079	1024	176.62
3	A₁	640	607	3.80
4	A₁	442	419	0.45
5	A₁	262	248	0.06
6	A₂	157	149	0.00
7	B₁	608	577	10.10
8	B₁	335	318	0.00
9	B₂	1414	1342	138.70
10	B₂	1011	960	141.84
11	B₂	464	441	0.92
12	B₂	180	171	2.39

Atom	y (Å)	z (Å)
C1	0.000	1.093
C2	0.000	-0.237
F3	1.086	1.822
F4	-1.086	1.822
Cl5	1.470	-1.116
Cl6	-1.470	-1.116

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3295	1.3086	1.3086	2.6529	2.6529
C2	1.3295		2.3282	2.3282	1.7129	1.7129
F3	1.3086	2.3282		2.1726	2.9629	3.8946
F4	1.3086	2.3282	2.1726		3.8946	2.9629
Cl5	2.6529	1.7129	2.9629	3.8946		2.9406
Cl6	2.6529	1.7129	3.8946	2.9629	2.9406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.864	C1	C2	Cl6	120.864
C2	C1	F3	123.890	C2	C1	F4	123.890
F3	C1	F4	112.220	Cl5	C2	Cl6	118.271

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B1B95/6-31G*

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	0.650
2	C	-0.390
3	F	-0.217
4	F	-0.217
5	Cl	0.087
6	Cl	0.087

	x	y	z	Total
	0.000	0.000	0.372	0.372
CHELPG
AIM
ESP

<r²>	232.375
(<r²>)^1/2	15.244

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B1B95/6-31G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)