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	hartrees
Energy at 0K	-273.153273
Energy at 298.15K	-273.155465
Nuclear repulsion energy	110.738913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3414	3015	0.63
2	A₁	1858	1641	14.26
3	A₁	1346	1189	11.53
4	A₁	1087	960	6.94
5	A₁	225	199	0.53
6	A₂	896	791	0.00
7	A₂	482	426	0.00
8	B₁	787	695	15.63
9	B₂	3390	2994	19.28
10	B₂	1560	1377	28.08
11	B₂	1233	1089	27.29
12	B₂	774	684	10.20

Atom	y (Å)	z (Å)
C1	0.677	0.572
C2	-0.677	0.572
F3	1.452	-0.552
F4	-1.452	-0.552
H5	1.224	1.532
H6	-1.224	1.532

	C1	C2	F3	F4	H5	H6
C1		1.3543	1.3649	2.4074	1.1047	2.1296
C2	1.3543		2.4074	1.3649	2.1296	1.1047
F3	1.3649	2.4074		2.9039	2.0960	3.3913
F4	2.4074	1.3649	2.9039		3.3913	2.0960
H5	1.1047	2.1296	2.0960	3.3913		2.4478
H6	2.1296	1.1047	3.3913	2.0960	2.4478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F4	124.588	C1	C2	H6	119.669
C2	C1	F3	124.588	C2	C1	H5	119.669
F3	C1	H5	115.743	F4	C2	H6	115.743

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

using model chemistry: B1B95/STO-3G

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	-0.018
2	C	-0.018
3	F	-0.066
4	F	-0.066
5	H	0.084
6	H	0.084

	x	y	z	Total
	0.000	0.000	1.054	1.054
CHELPG
AIM
ESP

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/STO-3G

States and conformations

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