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	hartrees
Energy at 0K	-277.079635
Energy at 298.15K	-277.082078
HF Energy	-277.079635
Nuclear repulsion energy	114.007314

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3258	3112	6.45
2	A₁	1800	1719	57.16
3	A₁	1306	1248	43.65
4	A₁	1039	992	72.08
5	A₁	242	231	2.39
6	A₂	895	855	0.00
7	A₂	522	499	0.00
8	B₁	796	760	52.09
9	B₂	3235	3089	4.44
10	B₂	1411	1348	35.06
11	B₂	1160	1108	145.69
12	B₂	789	754	32.22

Atom	y (Å)	z (Å)
C1	0.660	0.572
C2	-0.660	0.572
F3	1.384	-0.546
F4	-1.384	-0.546
H5	1.242	1.483
H6	-1.242	1.483

	C1	C2	F3	F4	H5	H6
C1		1.3203	1.3320	2.3300	1.0815	2.1096
C2	1.3203		2.3300	1.3320	2.1096	1.0815
F3	1.3320	2.3300		2.7681	2.0344	3.3192
F4	2.3300	1.3320	2.7681		3.3192	2.0344
H5	1.0815	2.1096	2.0344	3.3192		2.4848
H6	2.1096	1.0815	3.3192	2.0344	2.4848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.922	C1	C2	H6	122.575
C2	C1	F3	122.922	C2	C1	H5	122.575
F3	C1	H5	114.503	F4	C2	H6	114.503

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

using model chemistry: wB97X-D/TZVP

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	0.054
2	C	0.054
3	F	-0.183
4	F	-0.183
5	H	0.129
6	H	0.129

	x	y	z	Total
	0.000	0.000	2.504	2.504
CHELPG
AIM
ESP

<r²>	69.894
(<r²>)^1/2	8.360

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

using model chemistry: wB97X-D/TZVP

States and conformations

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