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	hartrees
Energy at 0K	-276.992802
Energy at 298.15K	-276.995214
Nuclear repulsion energy	114.252604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3262	3114	9.33
2	A₁	1812	1730	48.66
3	A₁	1309	1249	35.21
4	A₁	1054	1006	49.84
5	A₁	226	216	2.07
6	A₂	866	827	0.00
7	A₂	519	496	0.00
8	B₁	803	767	32.66
9	B₂	3237	3090	1.37
10	B₂	1421	1357	38.18
11	B₂	1186	1132	108.31
12	B₂	787	751	25.67

Atom	y (Å)	z (Å)
C1	0.661	0.567
C2	-0.661	0.567
F3	1.384	-0.543
F4	-1.384	-0.543
H5	1.235	1.484
H6	-1.235	1.484

	C1	C2	F3	F4	H5	H6
C1		1.3225	1.3245	2.3271	1.0823	2.1069
C2	1.3225		2.3271	1.3245	2.1069	1.0823
F3	1.3245	2.3271		2.7685	2.0326	3.3124
F4	2.3271	1.3245	2.7685		3.3124	2.0326
H5	1.0823	2.1069	2.0326	3.3124		2.4708
H6	2.1069	1.0823	3.3124	2.0326	2.4708

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.083	C1	C2	H6	122.041
C2	C1	F3	123.083	C2	C1	H5	122.041
F3	C1	H5	114.876	F4	C2	H6	114.876

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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	-0.056
2	C	-0.056
3	F	-0.094
4	F	-0.094
5	H	0.150
6	H	0.150

	x	y	z	Total
	0.000	0.000	2.041	2.041
CHELPG
AIM
ESP

<r²>	69.328
(<r²>)^1/2	8.326

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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