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	hartrees
Energy at 0K	-275.740808
Energy at 298.15K	-275.743273
HF Energy	-275.740808
Nuclear repulsion energy	112.215733

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3428	3113	0.00
2	A_g	1949	1770	0.00
3	A_g	1403	1274	0.00
4	A_g	1249	1134	0.00
5	A_g	600	545	0.00
6	A_u	1031	936	67.52
7	A_u	380	345	10.31
8	B_g	955	867	0.00
9	B_u	3417	3102	10.51
10	B_u	1392	1264	43.88
11	B_u	1265	1149	373.38
12	B_u	342	310	17.02

Atom	x (Å)	y (Å)
C1	-0.327	0.567
C2	0.327	-0.567
F3	0.327	1.721
F4	-0.327	-1.721
H5	-1.402	0.657
H6	1.402	-0.657

	C1	C2	F3	F4	H5	H6
C1		1.3094	1.3270	2.2885	1.0785	2.1185
C2	1.3094		2.2885	1.3270	2.1185	1.0785
F3	1.3270	2.2885		3.5046	2.0309	2.6097
F4	2.2885	1.3270	3.5046		2.6097	2.0309
H5	1.0785	2.1185	2.0309	2.6097		3.0964
H6	2.1185	1.0785	2.6097	2.0309	3.0964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.460	C1	C2	H6	124.752
C2	C1	F3	120.460	C2	C1	H5	124.752
F3	C1	H5	114.789	F4	C2	H6	114.789

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

using model chemistry: HF/cc-pVDZ

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	0.205
2	C	0.205
3	F	-0.266
4	F	-0.266
5	H	0.060
6	H	0.060

	x	y	z
x	3.206	-0.678	0.000
y	-0.678	4.198	0.000
z	0.000	0.000	1.660

<r²>	79.172
(<r²>)^1/2	8.898

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

using model chemistry: HF/cc-pVDZ

States and conformations

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