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	hartrees
Energy at 0K	-276.991168
Energy at 298.15K	-276.993547
Nuclear repulsion energy	113.649685

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3137	5.68
2	A₁	1795	1717	63.07
3	A₁	1286	1230	44.56
4	A₁	1037	992	66.61
5	A₁	227	217	2.05
6	A₂	865	828	0.00
7	A₂	507	485	0.00
8	B₁	778	745	53.39
9	B₂	3256	3115	5.23
10	B₂	1394	1334	40.11
11	B₂	1158	1108	131.45
12	B₂	771	738	29.54

Atom	y (Å)	z (Å)
C1	0.662	0.579
C2	-0.662	0.579
F3	1.382	-0.551
F4	-1.382	-0.551
H5	1.252	1.485
H6	-1.252	1.485

	C1	C2	F3	F4	H5	H6
C1		1.3250	1.3390	2.3355	1.0816	2.1184
C2	1.3250		2.3355	1.3390	2.1184	1.0816
F3	1.3390	2.3355		2.7633	2.0405	3.3291
F4	2.3355	1.3390	2.7633		3.3291	2.0405
H5	1.0816	2.1184	2.0405	3.3291		2.5041
H6	2.1184	1.0816	3.3291	2.0405	2.5041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.485	C1	C2	H6	123.030
C2	C1	F3	122.485	C2	C1	H5	123.030
F3	C1	H5	114.485	F4	C2	H6	114.485

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

using model chemistry: B1B95/6-31+G**

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	0.114
2	C	0.114
3	F	-0.280
4	F	-0.280
5	H	0.166
6	H	0.166

	x	y	z	Total
	0.000	0.000	2.558	2.558
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: B1B95/6-31+G**

States and conformations

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