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	hartrees
Energy at 0K	-277.014627
Energy at 298.15K	-277.016971
HF Energy	-277.014627
Nuclear repulsion energy	112.993159

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3173	3128	12.91
2	A₁	1711	1687	56.00
3	A₁	1258	1240	32.66
4	A₁	989	975	62.05
5	A₁	231	228	1.91
6	A₂	816	804	0.00
7	A₂	500	493	0.00
8	B₁	750	739	42.44
9	B₂	3149	3105	1.48
10	B₂	1363	1344	26.76
11	B₂	1110	1095	124.70
12	B₂	760	749	29.82

Atom	y (Å)	z (Å)
C1	0.665	0.576
C2	-0.665	0.576
F3	1.400	-0.550
F4	-1.400	-0.550
H5	1.245	1.493
H6	-1.245	1.493

	C1	C2	F3	F4	H5	H6
C1		1.3302	1.3447	2.3520	1.0849	2.1184
C2	1.3302		2.3520	1.3447	2.1184	1.0849
F3	1.3447	2.3520		2.7994	2.0494	3.3418
F4	2.3520	1.3447	2.7994		3.3418	2.0494
H5	1.0849	2.1184	2.0494	3.3418		2.4890
H6	2.1184	1.0849	3.3418	2.0494	2.4890

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	123.141	C1	C2	H6	122.350
C2	C1	F3	123.141	C2	C1	H5	122.350
F3	C1	H5	114.509	F4	C2	H6	114.509

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

using model chemistry: B97D3/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	0.058
2	C	0.058
3	F	-0.152
4	F	-0.152
5	H	0.094
6	H	0.094

	x	y	z	Total
	0.000	0.000	2.106	2.106
CHELPG
AIM
ESP

<r²>	70.885
(<r²>)^1/2	8.419

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

using model chemistry: B97D3/cc-pVTZ

States and conformations

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