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	hartrees
Energy at 0K	-60.843509
Energy at 298.15K	-60.845724
HF Energy	-60.843509
Nuclear repulsion energy	60.455885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3221	3123	0.00
2	A_g	1721	1668	0.00
3	A_g	1292	1252	0.00
4	A_g	1137	1102	0.00
5	A_g	543	527	0.00
6	A_u	895	868	82.91
7	A_u	329	319	4.67
8	B_g	770	747	0.00
9	B_u	3215	3116	17.73
10	B_u	1284	1244	16.44
11	B_u	1158	1122	324.41
12	B_u	312	302	13.07

Atom	x (Å)	y (Å)
C1	-0.338	0.576
C2	0.338	-0.576
F3	0.338	1.758
F4	-0.338	-1.758
H5	-1.419	0.681
H6	1.419	-0.681

	C1	C2	F3	F4	H5	H6
C1		1.3356	1.3607	2.3338	1.0866	2.1601
C2	1.3356		2.3338	1.3607	2.1601	1.0866
F3	1.3607	2.3338		3.5795	2.0605	2.6675
F4	2.3338	1.3607	3.5795		2.6675	2.0605
H5	1.0866	2.1601	2.0605	2.6675		3.1479
H6	2.1601	1.0866	2.6675	2.0605	3.1479

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	119.896	C1	C2	H6	125.882
C2	C1	F3	119.896	C2	C1	H5	125.882
F3	C1	H5	114.222	F4	C2	H6	114.222

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

using model chemistry: B3LYP/CEP-121G*

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	0.059
2	C	0.059
3	F	-0.230
4	F	-0.230
5	H	0.172
6	H	0.172

	x	y	z
x	3.583	-0.548	0.000
y	-0.548	4.858	0.000
z	0.000	0.000	2.259

<r²>	67.334
(<r²>)^1/2	8.206

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

using model chemistry: B3LYP/CEP-121G*

States and conformations

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