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	hartrees
Energy at 0K	-276.984615
Energy at 298.15K	-276.987032
HF Energy	-276.721808
Nuclear repulsion energy	113.765549

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3263	3131	7.18
2	A₁	1770	1698	52.89
3	A₁	1295	1243	33.48
4	A₁	1028	986	61.89
5	A₁	235	225	2.20
6	A₂	870	834	0.00
7	A₂	518	497	0.00
8	B₁	788	756	42.63
9	B₂	3240	3108	3.67
10	B₂	1411	1354	30.89
11	B₂	1152	1105	122.30
12	B₂	780	749	30.44

Atom	y (Å)	z (Å)
C1	0.662	0.575
C2	-0.662	0.575
F3	1.385	-0.548
F4	-1.385	-0.548
H5	1.240	1.484
H6	-1.240	1.484

	C1	C2	F3	F4	H5	H6
C1		1.3237	1.3356	2.3347	1.0780	2.1085
C2	1.3237		2.3347	1.3356	2.1085	1.0780
F3	1.3356	2.3347		2.7703	2.0377	3.3203
F4	2.3347	1.3356	2.7703		3.3203	2.0377
H5	1.0780	2.1085	2.0377	3.3203		2.4807
H6	2.1085	1.0780	3.3203	2.0377	2.4807

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.788	C1	C2	H6	122.452
C2	C1	F3	122.788	C2	C1	H5	122.452
F3	C1	H5	114.761	F4	C2	H6	114.761

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

using model chemistry: B2PLYP/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	0.068
2	C	0.068
3	F	-0.197
4	F	-0.197
5	H	0.129
6	H	0.129

<r²>	70.034
(<r²>)^1/2	8.369

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

using model chemistry: B2PLYP/cc-pVTZ

States and conformations

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