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	hartrees
Energy at 0K	-1196.199616
Energy at 298.15K	-1196.200218
HF Energy	-1196.199616
Nuclear repulsion energy	353.337910

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1820	1733	169.94
2	A₁	1062	1011	192.58
3	A₁	636	606	3.58
4	A₁	442	420	0.70
5	A₁	265	252	0.17
6	A₂	154	147	0.00
7	B₁	600	571	8.56
8	B₁	336	319	0.00
9	B₂	1363	1297	164.75
10	B₂	1001	953	145.01
11	B₂	460	438	0.74
12	B₂	185	176	2.51

Atom	y (Å)	z (Å)
C1	0.000	1.095
C2	0.000	-0.237
F3	1.088	1.832
F4	-1.088	1.832
Cl5	1.470	-1.121
Cl6	-1.470	-1.121

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3318	1.3138	1.3138	2.6592	2.6592
C2	1.3318		2.3374	2.3374	1.7153	1.7153
F3	1.3138	2.3374		2.1752	2.9778	3.9067
F4	1.3138	2.3374	2.1752		3.9067	2.9778
Cl5	2.6592	1.7153	2.9778	3.9067		2.9397
Cl6	2.6592	1.7153	3.9067	2.9778	2.9397

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	121.030	C1	C2	Cl6	121.030
C2	C1	F3	124.128	C2	C1	F4	124.128
F3	C1	F4	111.744	Cl5	C2	Cl6	117.940

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: mPW1PW91/6-31+G**

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	0.294
2	C	-0.199
3	F	-0.267
4	F	-0.267
5	Cl	0.219
6	Cl	0.219

	x	y	z	Total
	0.000	0.000	-0.043	0.043
CHELPG
AIM
ESP

<r²>	234.144
(<r²>)^1/2	15.302

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)