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	hartrees
Energy at 0K	-277.090626
Energy at 298.15K	-277.093008
Nuclear repulsion energy	112.978575

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3253	3157	4.09
2	A₁	1763	1711	63.90
3	A₁	1268	1231	36.23
4	A₁	1005	975	69.61
5	A₁	234	227	2.02
6	A₂	857	831	0.00
7	A₂	508	493	0.00
8	B₁	769	746	48.88
9	B₂	3231	3135	5.99
10	B₂	1371	1331	26.36
11	B₂	1119	1086	130.14
12	B₂	764	741	32.50

Atom	y (Å)	z (Å)
C1	0.665	0.582
C2	-0.665	0.582
F3	1.391	-0.554
F4	-1.391	-0.554
H5	1.256	1.495
H6	-1.256	1.495

	C1	C2	F3	F4	H5	H6
C1		1.3295	1.3484	2.3485	1.0877	2.1266
C2	1.3295		2.3485	1.3484	2.1266	1.0877
F3	1.3484	2.3485		2.7810	2.0538	3.3472
F4	2.3485	1.3484	2.7810		3.3472	2.0538
H5	1.0877	2.1266	2.0538	3.3472		2.5118
H6	2.1266	1.0877	3.3472	2.0538	2.5118

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.563	C1	C2	H6	122.924
C2	C1	F3	122.563	C2	C1	H5	122.924
F3	C1	H5	114.512	F4	C2	H6	114.512

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

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.841
2	C	0.841
3	F	-0.433
4	F	-0.433
5	H	-0.409
6	H	-0.409

	x	y	z	Total
	0.000	0.000	2.387	2.387
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

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