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	hartrees
Energy at 0K	-276.772016
Energy at 298.15K	-276.774415
HF Energy	-276.772016
Nuclear repulsion energy	116.522633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3160	3108	4.51
2	A₁	1748	1719	247.68
3	A₁	1381	1359	1.73
4	A₁	924	909	57.73
5	A₁	529	520	3.65
6	A₂	695	684	0.00
7	B₁	747	735	78.86
8	B₁	607	597	2.57
9	B₂	3257	3203	0.02
10	B₂	1313	1291	212.10
11	B₂	936	921	13.05
12	B₂	423	416	0.73

Atom	y (Å)	z (Å)
C1	0.000	1.396
C2	0.000	0.063
H3	0.944	1.939
H4	-0.944	1.939
F5	1.093	-0.702
F6	-1.093	-0.702

	C1	C2	H3	H4	F5	F6
C1		1.3327	1.0889	1.0889	2.3649	2.3649
C2	1.3327		2.1000	2.1000	1.3336	1.3336
H3	1.0889	2.1000		1.8874	2.6449	3.3346
H4	1.0889	2.1000	1.8874		3.3346	2.6449
F5	2.3649	1.3336	2.6449	3.3346		2.1853
F6	2.3649	1.3336	3.3346	2.6449	2.1853

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F5	124.985	C1	C2	F6	124.985
C2	C1	H3	119.930	C2	C1	H4	119.930
H3	C1	H4	120.140	F5	C2	F6	110.031

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

using model chemistry: PBEPBEultrafine/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	-0.470
2	C	0.533
3	H	0.178
4	H	0.178
5	F	-0.210
6	F	-0.210

	x	y	z	Total
	0.000	0.000	0.873	0.873
CHELPG
AIM
ESP

	x	y	z
x	1.652	0.000	0.000
y	0.000	3.239	-0.003
z	0.000	-0.003	4.663

<r²>	64.523
(<r²>)^1/2	8.033

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

using model chemistry: PBEPBEultrafine/6-31G*

States and conformations

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