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	hartrees
Energy at 0K	-276.976989
Energy at 298.15K	-276.979386
Nuclear repulsion energy	113.830058

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3279	3120	10.44
2	A₁	1819	1731	47.47
3	A₁	1309	1246	36.11
4	A₁	1057	1006	57.15
5	A₁	227	216	2.15
6	A₂	867	825	0.00
7	A₂	507	482	0.00
8	B₁	802	763	34.31
9	B₂	3255	3097	1.06
10	B₂	1430	1361	37.29
11	B₂	1183	1126	110.15
12	B₂	782	744	27.39

Atom	y (Å)	z (Å)
C1	0.662	0.575
C2	-0.662	0.575
F3	1.383	-0.548
F4	-1.383	-0.548
H5	1.244	1.488
H6	-1.244	1.488

	C1	C2	F3	F4	H5	H6
C1		1.3243	1.3345	2.3330	1.0823	2.1131
C2	1.3243		2.3330	1.3345	2.1131	1.0823
F3	1.3345	2.3330		2.7652	2.0407	3.3231
F4	2.3330	1.3345	2.7652		3.3231	2.0407
H5	1.0823	2.1131	2.0407	3.3231		2.4874
H6	2.1131	1.0823	3.3231	2.0407	2.4874

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.675	C1	C2	H6	122.504
C2	C1	F3	122.675	C2	C1	H5	122.504
F3	C1	H5	114.821	F4	C2	H6	114.821

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	0.129
2	C	0.129
3	F	-0.268
4	F	-0.268
5	H	0.139
6	H	0.139

	x	y	z	Total
	0.000	0.000	2.191	2.191
CHELPG
AIM
ESP

<r²>	69.551
(<r²>)^1/2	8.340

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)-)