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	hartrees
Energy at 0K	-273.184890
Energy at 298.15K	-273.186930
HF Energy	-273.184890
Nuclear repulsion energy	108.132638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3378	3014	0.00
2	A_g	1832	1635	0.00
3	A_g	1370	1222	0.00
4	A_g	1223	1092	0.00
5	A_g	552	493	0.00
6	A_u	975	870	27.93
7	A_u	315	281	0.61
8	B_g	764	682	0.00
9	B_u	3368	3005	19.80
10	B_u	1409	1257	40.99
11	B_u	1264	1128	52.29
12	B_u	308	275	2.72

Atom	x (Å)	y (Å)
C1	-0.329	0.595
C2	0.329	-0.595
F3	0.329	1.800
F4	-0.329	-1.800
H5	-1.435	0.652
H6	1.435	-0.652

	C1	C2	F3	F4	H5	H6
C1		1.3601	1.3726	2.3946	1.1076	2.1605
C2	1.3601		2.3946	1.3726	2.1605	1.1076
F3	1.3726	2.3946		3.6587	2.1050	2.6892
F4	2.3946	1.3726	3.6587		2.6892	2.1050
H5	1.1076	2.1605	2.1050	2.6892		3.1526
H6	2.1605	1.1076	2.6892	2.1050	3.1526

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.388	C1	C2	H6	121.878
C2	C1	F3	122.388	C2	C1	H5	121.878
F3	C1	H5	115.734	F4	C2	H6	115.734

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

using model chemistry: B3LYP/STO-3G

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	-0.017
2	C	-0.017
3	F	-0.062
4	F	-0.062
5	H	0.079
6	H	0.079

	x	y	z
x	1.971	-0.246	0.000
y	-0.246	3.430	0.000
z	0.000	0.000	0.421

<r²>	82.875
(<r²>)^1/2	9.104

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

using model chemistry: B3LYP/STO-3G

States and conformations

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