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	hartrees
Energy at 0K	-1190.578477
Energy at 298.15K	-1190.579108
HF Energy	-1190.578477
Nuclear repulsion energy	352.564634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1831	1749	122.94
2	A₁	1063	1015	125.07
3	A₁	621	593	3.12
4	A₁	430	410	0.69
5	A₁	259	248	0.18
6	A₂	162	155	0.00
7	B₁	666	636	15.91
8	B₁	348	333	0.02
9	B₂	1402	1339	92.54
10	B₂	984	939	116.06
11	B₂	471	450	1.68
12	B₂	178	170	3.42

Atom	y (Å)	z (Å)
C1	0.000	1.080
C2	0.000	-0.243
F3	1.109	1.827
F4	-1.109	1.827
Cl5	1.474	-1.115
Cl6	-1.474	-1.115

	C1	C2	F3	F4	Cl5	Cl6
C1		1.3224	1.3371	1.3371	2.6436	2.6436
C2	1.3224		2.3478	2.3478	1.7126	1.7126
F3	1.3371	2.3478		2.2180	2.9641	3.9146
F4	1.3371	2.3478	2.2180		3.9146	2.9641
Cl5	2.6436	1.7126	2.9641	3.9146		2.9477
Cl6	2.6436	1.7126	3.9146	2.9641	2.9477

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl5	120.617	C1	C2	Cl6	120.617
C2	C1	F3	123.962	C2	C1	F4	123.962
F3	C1	F4	112.076	Cl5	C2	Cl6	118.767

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)

using model chemistry: B1B95/3-21G*

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	0.675
2	C	-0.442
3	F	-0.250
4	F	-0.250
5	Cl	0.133
6	Cl	0.133

	x	y	z	Total
	0.000	0.000	0.055	0.055
CHELPG
AIM
ESP

<r²>	234.189
(<r²>)^1/2	15.303

All results from a given calculation for CF2CCl2 (difluorodichloroethylene)

using model chemistry: B1B95/3-21G*

States and conformations

All results from a given calculation for CF₂CCl₂ (difluorodichloroethylene)