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	hartrees
Energy at 0K	-277.117290
Energy at 298.15K	-277.119487
HF Energy	-277.117290
Nuclear repulsion energy	109.903104

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3140	3131	0.00
2	A_g	1673	1668	0.00
3	A_g	1276	1272	0.00
4	A_g	1097	1094	0.00
5	A_g	535	533	0.00
6	A_u	872	870	67.92
7	A_u	323	322	3.69
8	B_g	778	775	0.00
9	B_u	3135	3125	14.01
10	B_u	1256	1252	7.91
11	B_u	1112	1109	283.66
12	B_u	309	308	11.04

Atom	x (Å)	y (Å)
C1	-0.335	0.575
C2	0.335	-0.575
F3	0.335	1.760
F4	-0.335	-1.760
H5	-1.417	0.673
H6	1.417	-0.673

	C1	C2	F3	F4	H5	H6
C1		1.3309	1.3614	2.3344	1.0863	2.1511
C2	1.3309		2.3344	1.3614	2.1511	1.0863
F3	1.3614	2.3344		3.5825	2.0621	2.6621
F4	2.3344	1.3614	3.5825		2.6621	2.0621
H5	1.0863	2.1511	2.0621	2.6621		3.1374
H6	2.1511	1.0863	2.6621	2.0621	3.1374

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	120.232	C1	C2	H6	125.430
C2	C1	F3	120.232	C2	C1	H5	125.430
F3	C1	H5	114.338	F4	C2	H6	114.338

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

using model chemistry: BLYP/cc-pVTZ

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	-0.172
4	F	-0.172
5	H	0.089
6	H	0.089

	x	y	z
x	3.841	-0.455	0.000
y	-0.455	5.119	0.000
z	0.000	0.000	2.415

<r²>	82.024
(<r²>)^1/2	9.057

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

using model chemistry: BLYP/cc-pVTZ

States and conformations

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