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	hartrees
Energy at 0K	-277.010247
Energy at 298.15K	-277.012449
HF Energy	-277.010247
Nuclear repulsion energy	110.245371

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3129	3112	0.00
2	A_g	1686	1677	0.00
3	A_g	1274	1267	0.00
4	A_g	1126	1120	0.00
5	A_g	541	538	0.00
6	A_u	891	887	46.25
7	A_u	329	328	3.19
8	B_g	771	767	0.00
9	B_u	3123	3106	17.90
10	B_u	1271	1264	19.03
11	B_u	1155	1148	242.34
12	B_u	303	301	9.44

Atom	x (Å)	y (Å)
C1	-0.331	0.580
C2	0.331	-0.580
F3	0.331	1.755
F4	-0.331	-1.755
H5	-1.418	0.675
H6	1.418	-0.675

	C1	C2	F3	F4	H5	H6
C1		1.3362	1.3490	2.3351	1.0909	2.1534
C2	1.3362		2.3351	1.3490	2.1534	1.0909
F3	1.3490	2.3351		3.5721	2.0559	2.6623
F4	2.3351	1.3490	3.5721		2.6623	2.0559
H5	1.0909	2.1534	2.0559	2.6623		3.1415
H6	2.1534	1.0909	2.6623	2.0559	3.1415

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.827	C1	C2	H6	124.754
C2	C1	F3	120.827	C2	C1	H5	124.754
F3	C1	H5	114.419	F4	C2	H6	114.419

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

using model chemistry: BLYP/6-31G(2df,p)

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	-0.061
2	C	-0.061
3	F	-0.043
4	F	-0.043
5	H	0.104
6	H	0.104

	x	y	z
x	3.676	-0.462	0.000
y	-0.462	4.885	0.000
z	0.000	0.000	2.098

<r²>	81.268
(<r²>)^1/2	9.015

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

using model chemistry: BLYP/6-31G(2df,p)

States and conformations

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