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	hartrees
Energy at 0K	-275.484955
Energy at 298.15K	-275.487153
HF Energy	-275.484955
Nuclear repulsion energy	108.504632

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3151	3130	0.00
2	A_g	1699	1688	0.00
3	A_g	1311	1302	0.00
4	A_g	1103	1095	0.00
5	A_g	530	526	0.00
6	A_u	940	934	71.49
7	A_u	321	319	4.29
8	B_g	827	822	0.00
9	B_u	3150	3130	18.62
10	B_u	1297	1288	6.69
11	B_u	1148	1140	153.04
12	B_u	293	291	9.83

Atom	x (Å)	y (Å)
C1	-0.333	0.579
C2	0.333	-0.579
F3	0.333	1.793
F4	-0.333	-1.793
H5	-1.420	0.637
H6	1.420	-0.637

	C1	C2	F3	F4	H5	H6
C1		1.3349	1.3844	2.3713	1.0890	2.1330
C2	1.3349		2.3713	1.3844	2.1330	1.0890
F3	1.3844	2.3713		3.6465	2.0994	2.6619
F4	2.3713	1.3844	3.6465		2.6619	2.0994
H5	1.0890	2.1330	2.0994	2.6619		3.1128
H6	2.1330	1.0890	2.6619	2.0994	3.1128

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	121.384	C1	C2	H6	122.967
C2	C1	F3	121.384	C2	C1	H5	122.967
F3	C1	H5	115.649	F4	C2	H6	115.649

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

using model chemistry: BLYP/3-21G*

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	0.037
2	C	0.037
3	F	-0.232
4	F	-0.232
5	H	0.196
6	H	0.196

	x	y	z
x	3.072	-0.393	0.000
y	-0.393	4.410	0.000
z	0.000	0.000	1.048

<r²>	83.723
(<r²>)^1/2	9.150

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

using model chemistry: BLYP/3-21G*

States and conformations

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