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	hartrees
Energy at 0K	-275.703185
Energy at 298.15K	-275.705568
HF Energy	-275.703185
Nuclear repulsion energy	109.919620

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3497	3149	0.00
2	A_g	1905	1715	0.00
3	A_g	1418	1276	0.00
4	A_g	1159	1044	0.00
5	A_g	569	512	0.00
6	A_u	1053	948	110.33
7	A_u	356	320	16.15
8	B_g	969	872	0.00
9	B_u	3488	3140	16.59
10	B_u	1385	1247	5.63
11	B_u	1192	1073	315.45
12	B_u	330	297	24.30

Atom	x (Å)	y (Å)
C1	-0.339	0.564
C2	0.339	-0.564
F3	0.339	1.760
F4	-0.339	-1.760
H5	-1.401	0.668
H6	1.401	-0.668

	C1	C2	F3	F4	H5	H6
C1		1.3157	1.3751	2.3237	1.0674	2.1321
C2	1.3157		2.3237	1.3751	2.1321	1.0674
F3	1.3751	2.3237		3.5847	2.0549	2.6499
F4	2.3237	1.3751	3.5847		2.6499	2.0549
H5	1.0674	2.1321	2.0549	2.6499		3.1047
H6	2.1321	1.0674	2.6499	2.0549	3.1047

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.422	C1	C2	H6	126.618
C2	C1	F3	119.422	C2	C1	H5	126.618
F3	C1	H5	113.959	F4	C2	H6	113.959

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

using model chemistry: HF/SDD

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	0.094
2	C	0.094
3	F	-0.336
4	F	-0.336
5	H	0.242
6	H	0.242

	x	y	z
x	2.916	-0.658	0.000
y	-0.658	4.378	0.000
z	0.000	0.000	1.462

<r²>	82.614
(<r²>)^1/2	9.089

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

using model chemistry: HF/SDD

States and conformations

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