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	hartrees
Energy at 0K	-277.178028
Energy at 298.15K	-277.180559
HF Energy	-277.178028
Nuclear repulsion energy	117.716799

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3194	3088	5.94
2	A₁	1774	1715	298.63
3	A₁	1415	1368	3.23
4	A₁	940	908	74.10
5	A₁	551	533	4.19
6	A₂	723	698	0.00
7	B₁	833	805	73.50
8	B₁	636	615	0.09
9	B₂	3293	3184	0.12
10	B₂	1309	1265	222.75
11	B₂	963	931	22.93
12	B₂	442	428	0.81

Atom	y (Å)	z (Å)
C1	0.000	1.382
C2	0.000	0.066
H3	0.934	1.917
H4	-0.934	1.917
F5	1.080	-0.696
F6	-1.080	-0.696

	C1	C2	H3	H4	F5	F6
C1		1.3154	1.0767	1.0767	2.3418	2.3418
C2	1.3154		2.0729	2.0729	1.3223	1.3223
H3	1.0767	2.0729		1.8689	2.6166	3.2993
H4	1.0767	2.0729	1.8689		3.2993	2.6166
F5	2.3418	1.3223	2.6166	3.2993		2.1609
F6	2.3418	1.3223	3.2993	2.6166	2.1609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	125.203	C1	C2	F6	125.203
C2	C1	H3	119.786	C2	C1	H4	119.786
H3	C1	H4	120.427	F5	C2	F6	109.593

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

using model chemistry: B3LYPultrafine/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	-0.372
2	C	0.375
3	H	0.140
4	H	0.140
5	F	-0.142
6	F	-0.142

	x	y	z	Total
	0.000	0.000	1.182	1.182
CHELPG
AIM
ESP

	x	y	z
x	2.414	0.000	0.000
y	0.000	3.525	-0.003
z	0.000	-0.003	4.977

<r²>	63.859
(<r²>)^1/2	7.991

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

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