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	hartrees
Energy at 0K	-276.898616
Energy at 298.15K	-276.901044
HF Energy	-276.898616
Nuclear repulsion energy	114.116122

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3249	3122	7.36
2	A₁	1792	1723	57.10
3	A₁	1292	1241	39.25
4	A₁	1041	1000	59.77
5	A₁	234	225	2.05
6	A₂	878	844	0.00
7	A₂	524	504	0.00
8	B₁	787	757	44.22
9	B₂	3225	3099	3.54
10	B₂	1403	1348	36.12
11	B₂	1164	1119	125.74
12	B₂	786	755	29.36

Atom	y (Å)	z (Å)
C1	0.660	0.572
C2	-0.660	0.572
F3	1.381	-0.546
F4	-1.381	-0.546
H5	1.238	1.485
H6	-1.238	1.485

	C1	C2	F3	F4	H5	H6
C1		1.3196	1.3306	2.3272	1.0810	2.1062
C2	1.3196		2.3272	1.3306	2.1062	1.0810
F3	1.3306	2.3272		2.7623	2.0365	3.3147
F4	2.3272	1.3306	2.7623		3.3147	2.0365
H5	1.0810	2.1062	2.0365	3.3147		2.4762
H6	2.1062	1.0810	3.3147	2.0365	2.4762

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	122.825	C1	C2	H6	122.343
C2	C1	F3	122.825	C2	C1	H5	122.343
F3	C1	H5	114.832	F4	C2	H6	114.832

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

using model chemistry: HSEh1PBE/cc-pVTZ

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	0.048
2	C	0.048
3	F	-0.157
4	F	-0.157
5	H	0.109
6	H	0.109

	x	y	z	Total
	0.000	0.000	2.208	2.208
CHELPG
AIM
ESP

<r²>	69.644
(<r²>)^1/2	8.345

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

using model chemistry: HSEh1PBE/cc-pVTZ

States and conformations

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