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	hartrees
Energy at 0K	-277.052399
Energy at 298.15K	-277.054708
Nuclear repulsion energy	110.658404

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3287	3160	11.32
2	A₁	1744	1676	32.02
3	A₁	1269	1220	21.95
4	A₁	951	914	56.09
5	A₁	226	217	2.88
6	A₂	884	850	0.00
7	A₂	482	464	0.00
8	B₁	783	752	68.44
9	B₂	3255	3129	5.14
10	B₂	1364	1311	11.51
11	B₂	1073	1031	109.59
12	B₂	731	703	26.43

Atom	y (Å)	z (Å)
C1	0.669	0.601
C2	-0.669	0.601
F3	1.423	-0.568
F4	-1.423	-0.568
H5	1.267	1.506
H6	-1.267	1.506

	C1	C2	F3	F4	H5	H6
C1		1.3381	1.3910	2.3964	1.0843	2.1368
C2	1.3381		2.3964	1.3910	2.1368	1.0843
F3	1.3910	2.3964		2.8457	2.0794	3.3963
F4	2.3964	1.3910	2.8457		3.3963	2.0794
H5	1.0843	2.1368	2.0794	3.3963		2.5338
H6	2.1368	1.0843	3.3963	2.0794	2.5338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.816	C1	C2	H6	123.463
C2	C1	F3	122.816	C2	C1	H5	123.463
F3	C1	H5	113.721	F4	C2	H6	113.721

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (Z)-)

using model chemistry: B3LYP/LANL2DZ

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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HF vs MP2 Bad vib. Calc. vs exp. 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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	-0.005
2	C	-0.005
3	F	-0.218
4	F	-0.218
5	H	0.223
6	H	0.223

	x	y	z	Total
	0.000	0.000	3.333	3.333
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for C2H2F2 (Ethene, 1,2-difluoro-, (Z)-)

using model chemistry: B3LYP/LANL2DZ

States and conformations

All results from a given calculation for C₂H₂F₂ (Ethene, 1,2-difluoro-, (Z)-)