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	hartrees
Energy at 0K	-276.799819
Energy at 298.15K	-276.802085
HF Energy	-276.605622
Nuclear repulsion energy	110.694491

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3287	3120	0.00
2	A_g	1782	1692	0.00
3	A_g	1326	1258	0.00
4	A_g	1173	1113	0.00
5	A_g	557	529	0.00
6	A_u	929	882	55.76
7	A_u	343	326	5.90
8	B_g	801	761	0.00
9	B_u	3280	3113	12.57
10	B_u	1328	1260	27.88
11	B_u	1197	1137	258.09
12	B_u	316	300	12.54

Atom	x (Å)	y (Å)
C1	-0.334	0.574
C2	0.334	-0.574
F3	0.334	1.745
F4	-0.334	-1.745
H5	-1.411	0.668
H6	1.411	-0.668

	C1	C2	F3	F4	H5	H6
C1		1.3271	1.3485	2.3190	1.0818	2.1415
C2	1.3271		2.3190	1.3485	2.1415	1.0818
F3	1.3485	2.3190		3.5540	2.0509	2.6429
F4	2.3190	1.3485	3.5540		2.6429	2.0509
H5	1.0818	2.1415	2.0509	2.6429		3.1227
H6	2.1415	1.0818	2.6429	2.0509	3.1227

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.152	C1	C2	H6	125.186
C2	C1	F3	120.152	C2	C1	H5	125.186
F3	C1	H5	114.662	F4	C2	H6	114.662

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

using model chemistry: B2PLYP/6-31G*

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	0.129
2	C	0.129
3	F	-0.313
4	F	-0.313
5	H	0.184
6	H	0.184

	x	y	z
x	3.270	-0.495	0.000
y	-0.495	4.423	0.000
z	0.000	0.000	1.630

<r²>	80.689
(<r²>)^1/2	8.983

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

using model chemistry: B2PLYP/6-31G*

States and conformations

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