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	hartrees
Energy at 0K	-276.756226
Energy at 298.15K	-276.758418
HF Energy	-276.756226
Nuclear repulsion energy	110.111466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3160	3117	0.00
2	A_g	1717	1693	0.00
3	A_g	1267	1249	0.00
4	A_g	1144	1129	0.00
5	A_g	541	534	0.00
6	A_u	881	869	54.61
7	A_u	330	325	3.48
8	B_g	754	744	0.00
9	B_u	3153	3110	16.70
10	B_u	1269	1252	34.34
11	B_u	1174	1158	234.51
12	B_u	303	299	9.52

Atom	x (Å)	y (Å)
C1	-0.334	0.580
C2	0.334	-0.580
F3	0.334	1.755
F4	-0.334	-1.755
H5	-1.423	0.671
H6	1.423	-0.671

	C1	C2	F3	F4	H5	H6
C1		1.3382	1.3517	2.3347	1.0928	2.1565
C2	1.3382		2.3347	1.3517	2.1565	1.0928
F3	1.3517	2.3347		3.5729	2.0646	2.6589
F4	2.3347	1.3517	3.5729		2.6589	2.0646
H5	1.0928	2.1565	2.0646	2.6589		3.1463
H6	2.1565	1.0928	2.6589	2.0646	3.1463

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.442	C1	C2	H6	124.716
C2	C1	F3	120.442	C2	C1	H5	124.716
F3	C1	H5	114.842	F4	C2	H6	114.842

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

using model chemistry: PBEPBE/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	0.115
2	C	0.115
3	F	-0.235
4	F	-0.235
5	H	0.121
6	H	0.121

	x	y	z
x	3.457	-0.483	0.000
y	-0.483	4.660	0.000
z	0.000	0.000	1.705

<r²>	81.241
(<r²>)^1/2	9.013

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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