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	hartrees
Energy at 0K	-238.950152
Energy at 298.15K
HF Energy	-238.723416
Nuclear repulsion energy	77.260366

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	3088	2950	45.07	112.61	0.09	0.16
2	A₁	1559	1490	0.85	4.37	0.71	0.83
3	A₁	1128	1077	99.73	3.86	0.25	0.40
4	A₁	532	508	4.63	1.57	0.67	0.80
5	A₂	1292	1234	0.00	6.84	0.75	0.86
6	B₁	3159	3018	41.58	43.25	0.75	0.86
7	B₁	1201	1148	19.01	1.53	0.75	0.86
8	B₂	1482	1416	17.74	2.18	0.75	0.86
9	B₂	1108	1059	237.22	2.68	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.502
H2	-0.907	0.000	1.100
H3	0.907	0.000	1.100
F4	0.000	1.102	-0.290
F5	0.000	-1.102	-0.290

	C1	H2	H3	F4	F5
C1		1.0867	1.0867	1.3569	1.3569
H2	1.0867		1.8138	1.9923	1.9923
H3	1.0867	1.8138		1.9923	1.9923
F4	1.3569	1.9923	1.9923		2.2046
F5	1.3569	1.9923	1.9923	2.2046

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.142	H2	C1	F4	108.739
H2	C1	F5	108.739	H3	C1	F4	108.739
H3	C1	F5	108.739	F4	C1	F5	108.656

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

using model chemistry: B2PLYP=FULLultrafine/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	0.323
2	H	0.046
3	H	0.046
4	F	-0.208
5	F	-0.208

	x	y
	-0.429	0.086
CHELPG
AIM
ESP

<r²>	39.231
(<r²>)^1/2	6.263

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

using model chemistry: B2PLYP=FULLultrafine/cc-pVTZ

States and conformations

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