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	hartrees
Energy at 0K	-276.973619
Energy at 298.15K	-276.976006
Nuclear repulsion energy	113.797410

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3286	3116	12.00
2	A₁	1821	1727	47.15
3	A₁	1311	1243	35.54
4	A₁	1059	1004	57.65
5	A₁	227	215	2.14
6	A₂	865	820	0.00
7	A₂	506	480	0.00
8	B₁	802	761	34.78
9	B₂	3261	3093	0.46
10	B₂	1436	1362	38.73
11	B₂	1182	1121	109.54
12	B₂	782	741	27.45

Atom	y (Å)	z (Å)
C1	0.662	0.574
C2	-0.662	0.574
F3	1.384	-0.548
F4	-1.384	-0.548
H5	1.246	1.486
H6	-1.246	1.486

	C1	C2	F3	F4	H5	H6
C1		1.3245	1.3344	2.3340	1.0827	2.1148
C2	1.3245		2.3340	1.3344	2.1148	1.0827
F3	1.3344	2.3340		2.7684	2.0389	3.3249
F4	2.3340	1.3344	2.7684		3.3249	2.0389
H5	1.0827	2.1148	2.0389	3.3249		2.4916
H6	2.1148	1.0827	3.3249	2.0389	2.4916

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.752	C1	C2	H6	122.614
C2	C1	F3	122.752	C2	C1	H5	122.614
F3	C1	H5	114.634	F4	C2	H6	114.634

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

using model chemistry: mPW1PW91/6-31G*

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	0.085
2	C	0.085
3	F	-0.265
4	F	-0.265
5	H	0.179
6	H	0.179

	x	y	z	Total
	0.000	0.000	2.199	2.199
CHELPG
AIM
ESP

<r²>	69.621
(<r²>)^1/2	8.344

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

using model chemistry: mPW1PW91/6-31G*

States and conformations

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