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	hartrees
Energy at 0K	-276.886668
Energy at 298.15K	-276.888866
HF Energy	-276.886668
Nuclear repulsion energy	110.356692

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3145	3107	0.00
2	A_g	1690	1669	0.00
3	A_g	1267	1252	0.00
4	A_g	1120	1106	0.00
5	A_g	541	534	0.00
6	A_u	872	861	72.31
7	A_u	326	322	2.72
8	B_g	780	770	0.00
9	B_u	3139	3101	14.65
10	B_u	1250	1235	16.22
11	B_u	1144	1130	292.35
12	B_u	306	303	10.23

Atom	x (Å)	y (Å)
C1	-0.331	0.579
C2	0.331	-0.579
F3	0.331	1.752
F4	-0.331	-1.752
H5	-1.417	0.673
H6	1.417	-0.673

	C1	C2	F3	F4	H5	H6
C1		1.3332	1.3473	2.3312	1.0900	2.1497
C2	1.3332		2.3312	1.3473	2.1497	1.0900
F3	1.3473	2.3312		3.5668	2.0538	2.6578
F4	2.3312	1.3473	3.5668		2.6578	2.0538
H5	1.0900	2.1497	2.0538	2.6578		3.1371
H6	2.1497	1.0900	2.6578	2.0538	3.1371

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.843	C1	C2	H6	124.731
C2	C1	F3	120.843	C2	C1	H5	124.731
F3	C1	H5	114.426	F4	C2	H6	114.426

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

using model chemistry: PBEPBE/Def2TZVPP

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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HF vs MP2 Bad vib. Calc. vs exp. 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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	0.064
2	C	0.064
3	F	-0.159
4	F	-0.159
5	H	0.095
6	H	0.095

	x	y	z
x	3.911	-0.431	0.000
y	-0.431	5.212	0.000
z	0.000	0.000	2.749

<r²>	81.416
(<r²>)^1/2	9.023

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

using model chemistry: PBEPBE/Def2TZVPP

States and conformations

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