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	hartrees
Energy at 0K	-277.011997
Energy at 298.15K	-277.014294
Nuclear repulsion energy	111.897306

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3142	3147	12.77
2	A₁	1702	1704	46.61
3	A₁	1235	1237	27.42
4	A₁	977	978	61.15
5	A₁	220	221	2.02
6	A₂	806	807	0.00
7	A₂	489	489	0.00
8	B₁	750	751	31.47
9	B₂	3118	3123	0.30
10	B₂	1342	1344	28.70
11	B₂	1095	1097	107.27
12	B₂	742	743	27.31

Atom	y (Å)	z (Å)
C1	0.671	0.582
C2	-0.671	0.582
F3	1.412	-0.556
F4	-1.412	-0.556
H5	1.258	1.511
H6	-1.258	1.511

	C1	C2	F3	F4	H5	H6
C1		1.3422	1.3579	2.3739	1.0991	2.1415
C2	1.3422		2.3739	1.3579	2.1415	1.0991
F3	1.3579	2.3739		2.8249	2.0725	3.3771
F4	2.3739	1.3579	2.8249		3.3771	2.0725
H5	1.0991	2.1415	2.0725	3.3771		2.5167
H6	2.1415	1.0991	3.3771	2.0725	2.5167

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.089	C1	C2	H6	122.295
C2	C1	F3	123.089	C2	C1	H5	122.295
F3	C1	H5	114.616	F4	C2	H6	114.616

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

using model chemistry: BLYP/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	0.136
2	C	0.136
3	F	-0.139
4	F	-0.139
5	H	0.003
6	H	0.003

	x	y	z	Total
	0.000	0.000	1.959	1.959
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: BLYP/cc-pVDZ

States and conformations

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