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	hartrees
Energy at 0K	-275.639253
Energy at 298.15K	-275.641668
HF Energy	-275.639253
Nuclear repulsion energy	110.376833

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3492	3153	0.00
2	A_g	1936	1748	0.00
3	A_g	1429	1290	0.00
4	A_g	1193	1077	0.00
5	A_g	576	520	0.00
6	A_u	1054	952	96.95
7	A_u	360	325	19.35
8	B_g	972	877	0.00
9	B_u	3481	3143	7.41
10	B_u	1407	1270	8.97
11	B_u	1220	1101	263.10
12	B_u	338	305	24.17

Atom	x (Å)	y (Å)
C1	-0.339	0.559
C2	0.339	-0.559
F3	0.339	1.752
F4	-0.339	-1.752
H5	-1.399	0.661
H6	1.399	-0.661

	C1	C2	F3	F4	H5	H6
C1		1.3073	1.3714	2.3106	1.0650	2.1232
C2	1.3073		2.3106	1.3714	2.1232	1.0650
F3	1.3714	2.3106		3.5679	2.0512	2.6354
F4	2.3106	1.3714	3.5679		2.6354	2.0512
H5	1.0650	2.1232	2.0512	2.6354		3.0944
H6	2.1232	1.0650	2.6354	2.0512	3.0944

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.200	C1	C2	H6	126.712
C2	C1	F3	119.200	C2	C1	H5	126.712
F3	C1	H5	114.089	F4	C2	H6	114.089

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

using model chemistry: HF/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	0.196
2	C	0.196
3	F	-0.427
4	F	-0.427
5	H	0.231
6	H	0.231

	x	y	z
x	2.956	-0.609	0.000
y	-0.609	4.230	0.000
z	0.000	0.000	1.228

<r²>	81.673
(<r²>)^1/2	9.037

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

using model chemistry: HF/6-31G

States and conformations

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