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	hartrees
Energy at 0K	-275.708613
Energy at 298.15K	-275.710839
Nuclear repulsion energy	111.219959

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3139	3105	0.00
2	A_g	1757	1738	0.00
3	A_g	1235	1221	0.00
4	A_g	1175	1162	0.00
5	A_g	552	545	0.00
6	A_u	870	860	63.86
7	A_u	339	335	3.18
8	B_g	794	785	0.00
9	B_u	3131	3097	12.71
10	B_u	1260	1246	198.38
11	B_u	1189	1176	93.64
12	B_u	296	293	9.93

Atom	x (Å)	y (Å)
C1	-0.328	0.579
C2	0.328	-0.579
F3	0.328	1.736
F4	-0.328	-1.736
H5	-1.428	0.658
H6	1.428	-0.658

	C1	C2	F3	F4	H5	H6
C1		1.3315	1.3300	2.3147	1.1029	2.1486
C2	1.3315		2.3147	1.3300	2.1486	1.1029
F3	1.3300	2.3147		3.5328	2.0612	2.6340
F4	2.3147	1.3300	3.5328		2.6340	2.0612
H5	1.1029	2.1486	2.0612	2.6340		3.1453
H6	2.1486	1.1029	2.6340	2.0612	3.1453

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.842	C1	C2	H6	123.650
C2	C1	F3	120.842	C2	C1	H5	123.650
F3	C1	H5	115.509	F4	C2	H6	115.509

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

using model chemistry: LSDA/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	0.049
2	C	0.049
3	F	-0.109
4	F	-0.109
5	H	0.060
6	H	0.060

	x	y	z
x	3.560	-0.524	0.000
y	-0.524	4.552	0.000
z	0.000	0.000	1.740

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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