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	hartrees
Energy at 0K	-238.808361
Energy at 298.15K
HF Energy	-238.643386
Nuclear repulsion energy	76.629163

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	3132	3132	39.21	100.23	0.10	0.18
2	A₁	1557	1557	1.42	6.18	0.74	0.85
3	A₁	1109	1109	106.68	6.89	0.14	0.25
4	A₁	514	514	5.57	1.69	0.67	0.80
5	A₂	1281	1281	0.00	8.55	0.75	0.86
6	B₁	3218	3218	30.56	47.30	0.75	0.86
7	B₁	1187	1187	17.95	1.45	0.75	0.86
8	B₂	1472	1472	25.82	3.91	0.75	0.86
9	B₂	1084	1084	276.90	3.18	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.509
H2	-0.914	0.000	1.101
H3	0.914	0.000	1.101
F4	0.000	1.112	-0.292
F5	0.000	-1.112	-0.292

	C1	H2	H3	F4	F5
C1		1.0885	1.0885	1.3702	1.3702
H2	1.0885		1.8273	2.0026	2.0026
H3	1.0885	1.8273		2.0026	2.0026
F4	1.3702	2.0026	2.0026		2.2230
F5	1.3702	2.0026	2.0026	2.2230

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	114.146	H2	C1	F4	108.533
H2	C1	F5	108.533	H3	C1	F4	108.533
H3	C1	F5	108.533	F4	C1	F5	108.430

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

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	0.380
2	H	0.132
3	H	0.132
4	F	-0.322
5	F	-0.322

	x	y
	-0.439	0.037
CHELPG
AIM
ESP

<r²>	39.958
(<r²>)^1/2	6.321

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

using model chemistry: B2PLYP=FULLultrafine/6-31+G**

States and conformations

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