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	hartrees
Energy at 0K	-277.086247
Energy at 298.15K	-277.088427
HF Energy	-277.086247
Nuclear repulsion energy	109.683002

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3140	3127	0.00
2	A_g	1672	1665	0.00
3	A_g	1261	1257	0.00
4	A_g	1093	1088	0.00
5	A_g	532	530	0.00
6	A_u	874	871	72.22
7	A_u	323	322	4.29
8	B_g	766	763	0.00
9	B_u	3134	3121	15.32
10	B_u	1246	1241	8.19
11	B_u	1108	1104	283.46
12	B_u	305	304	12.25

Atom	x (Å)	y (Å)
C1	-0.336	0.576
C2	0.336	-0.576
F3	0.336	1.763
F4	-0.336	-1.763
H5	-1.420	0.672
H6	1.420	-0.672

	C1	C2	F3	F4	H5	H6
C1		1.3341	1.3637	2.3399	1.0885	2.1542
C2	1.3341		2.3399	1.3637	2.1542	1.0885
F3	1.3637	2.3399		3.5902	2.0673	2.6658
F4	2.3399	1.3637	3.5902		2.6658	2.0673
H5	1.0885	2.1542	2.0673	2.6658		3.1417
H6	2.1542	1.0885	2.6658	2.0673	3.1417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.297	C1	C2	H6	125.245
C2	C1	F3	120.297	C2	C1	H5	125.245
F3	C1	H5	114.459	F4	C2	H6	114.459

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

using model chemistry: BLYP/6-311G**

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	0.083
2	C	0.083
3	F	-0.196
4	F	-0.196
5	H	0.113
6	H	0.113

	x	y	z
x	3.539	-0.493	0.000
y	-0.493	4.790	0.000
z	0.000	0.000	1.950

<r²>	82.237
(<r²>)^1/2	9.068

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

using model chemistry: BLYP/6-311G**

States and conformations

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