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	hartrees
Energy at 0K	-277.058696
Energy at 298.15K	-277.061185
Nuclear repulsion energy	117.258390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3223	3088	4.42
2	A₁	1800	1725	262.40
3	A₁	1432	1372	3.39
4	A₁	948	908	66.31
5	A₁	543	520	4.05
6	A₂	726	695	0.00
7	B₁	811	777	77.64
8	B₁	626	600	2.60
9	B₂	3318	3179	0.08
10	B₂	1353	1296	216.85
11	B₂	972	931	15.59
12	B₂	438	420	1.05

Atom	y (Å)	z (Å)
C1	0.000	1.386
C2	0.000	0.064
H3	0.937	1.926
H4	-0.937	1.926
F5	1.086	-0.697
F6	-1.086	-0.697

	C1	C2	H3	H4	F5	F6
C1		1.3227	1.0814	1.0814	2.3498	2.3498
C2	1.3227		2.0847	2.0847	1.3261	1.3261
H3	1.0814	2.0847		1.8746	2.6274	3.3128
H4	1.0814	2.0847	1.8746		3.3128	2.6274
F5	2.3498	1.3261	2.6274	3.3128		2.1719
F6	2.3498	1.3261	3.3128	2.6274	2.1719

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	125.025	C1	C2	F6	125.025
C2	C1	H3	119.919	C2	C1	H4	119.919
H3	C1	H4	120.163	F5	C2	F6	109.950

All results from a given calculation for CH₂CF₂ (Ethene, 1,1-difluoro-)

using model chemistry: B3LYPultrafine/6-31G*

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	-0.446
2	C	0.584
3	H	0.171
4	H	0.171
5	F	-0.240
6	F	-0.240

	x	y	z	Total
	0.000	0.000	1.037	1.037
CHELPG
AIM
ESP

<r²>	63.908
(<r²>)^1/2	7.994

All results from a given calculation for CH2CF2 (Ethene, 1,1-difluoro-)

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

All results from a given calculation for CH₂CF₂ (Ethene, 1,1-difluoro-)