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	hartrees
Energy at 0K	-238.778283
Energy at 298.15K	-238.781051
HF Energy	-238.778283
Nuclear repulsion energy	75.940204

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	2979	2961	41.86	128.27	0.07	0.13
2	A₁	1435	1426	0.02	3.58	0.72	0.84
3	A₁	1058	1051	89.04	6.44	0.16	0.28
4	A₁	493	490	3.74	1.44	0.64	0.78
5	A₂	1197	1190	0.00	4.69	0.75	0.86
6	B₁	3061	3043	30.59	49.06	0.75	0.86
7	B₁	1118	1111	11.97	0.70	0.75	0.86
8	B₂	1364	1356	6.57	0.90	0.75	0.86
9	B₂	1015	1009	258.19	2.70	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.513
H2	-0.930	0.000	1.114
H3	0.930	0.000	1.114
F4	0.000	1.120	-0.295
F5	0.000	-1.120	-0.295

	C1	H2	H3	F4	F5
C1		1.1074	1.1074	1.3809	1.3809
H2	1.1074		1.8600	2.0258	2.0258
H3	1.1074	1.8600		2.0258	2.0258
F4	1.3809	2.0258	2.0258		2.2406
F5	1.3809	2.0258	2.0258	2.2406

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	114.230	H2	C1	F4	108.507
H2	C1	F5	108.507	H3	C1	F4	108.507
H3	C1	F5	108.507	F4	C1	F5	108.449

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

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	1.175
2	H	-0.250
3	H	-0.250
4	F	-0.337
5	F	-0.337

	x	y	z	Total
	0.000	0.000	1.896	1.896
CHELPG
AIM
ESP

<r²>	40.479
(<r²>)^1/2	6.362

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

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