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	hartrees
Energy at 0K	-238.737925
Energy at 298.15K	-238.740772
HF Energy	-238.737925
Nuclear repulsion energy	77.349621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3082	2937	50.82	102.21	0.11	0.21
2	A₁	1573	1500	3.91	8.87	0.74	0.85
3	A₁	1161	1107	100.92	4.31	0.24	0.38
4	A₁	529	504	4.54	1.67	0.74	0.85
5	A₂	1286	1226	0.00	14.16	0.75	0.86
6	B₁	3148	3000	70.54	48.17	0.75	0.86
7	B₁	1204	1147	19.89	2.42	0.75	0.86
8	B₂	1507	1436	48.46	5.59	0.75	0.86
9	B₂	1169	1114	207.17	3.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.496
H2	-0.909	0.000	1.108
H3	0.909	0.000	1.108
F4	0.000	1.102	-0.288
F5	0.000	-1.102	-0.288

	C1	H2	H3	F4	F5
C1		1.0958	1.0958	1.3521	1.3521
H2	1.0958		1.8181	1.9971	1.9971
H3	1.0958	1.8181		1.9971	1.9971
F4	1.3521	1.9971	1.9971		2.2030
F5	1.3521	1.9971	1.9971	2.2030

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.111	H2	C1	F4	108.895
H2	C1	F5	108.895	H3	C1	F4	108.895
H3	C1	F5	108.895	F4	C1	F5	109.108

All results from a given calculation for CH₂F₂ (Methane, difluoro-)

using model chemistry: PBE1PBE/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	0.266
2	H	0.150
3	H	0.150
4	F	-0.283
5	F	-0.283

	x	y	z	Total
	0.000	0.000	1.715	1.715
CHELPG
AIM
ESP

<r²>	38.923
(<r²>)^1/2	6.239

All results from a given calculation for CH2F2 (Methane, difluoro-)

using model chemistry: PBE1PBE/6-31G**

States and conformations

All results from a given calculation for CH₂F₂ (Methane, difluoro-)