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	hartrees
Energy at 0K	-276.906484
Energy at 298.15K	-276.908851
Nuclear repulsion energy	111.834064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3310	3157	6.17
2	A₁	1801	1717	23.56
3	A₁	1296	1236	20.15
4	A₁	1002	955	55.42
5	A₁	226	216	2.79
6	A₂	920	877	0.00
7	A₂	490	467	0.00
8	B₁	806	768	44.46
9	B₂	3283	3131	1.54
10	B₂	1407	1342	13.18
11	B₂	1122	1070	86.99
12	B₂	746	712	25.81

Atom	y (Å)	z (Å)
C1	0.662	0.597
C2	-0.662	0.597
F3	1.403	-0.564
F4	-1.403	-0.564
H5	1.258	1.496
H6	-1.258	1.496

	C1	C2	F3	F4	H5	H6
C1		1.3236	1.3771	2.3686	1.0790	2.1199
C2	1.3236		2.3686	1.3771	2.1199	1.0790
F3	1.3771	2.3686		2.8058	2.0652	3.3650
F4	2.3686	1.3771	2.8058		3.3650	2.0652
H5	1.0790	2.1199	2.0652	3.3650		2.5157
H6	2.1199	1.0790	3.3650	2.0652	2.5157

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.560	C1	C2	H6	123.530
C2	C1	F3	122.560	C2	C1	H5	123.530
F3	C1	H5	113.910	F4	C2	H6	113.910

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

using model chemistry: B1B95/6-31G

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	0.125
2	C	0.125
3	F	-0.308
4	F	-0.308
5	H	0.183
6	H	0.183

	x	y	z	Total
	0.000	0.000	2.941	2.941
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: B1B95/6-31G

States and conformations

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