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	hartrees
Energy at 0K	-238.762543
Energy at 298.15K	-238.765373
HF Energy	-238.762543
Nuclear repulsion energy	77.067561

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	3096	2957	41.52	104.91	0.10	0.18
2	A₁	1532	1464	0.89	6.28	0.75	0.86
3	A₁	1136	1085	108.66	5.88	0.17	0.28
4	A₁	524	500	5.52	1.55	0.70	0.82
5	A₂	1273	1216	0.00	8.86	0.75	0.86
6	B₁	3176	3034	33.43	49.77	0.75	0.86
7	B₁	1181	1128	17.17	1.32	0.75	0.86
8	B₂	1459	1394	25.01	3.99	0.75	0.86
9	B₂	1118	1068	273.84	2.95	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.504
H2	-0.915	0.000	1.102
H3	0.915	0.000	1.102
F4	0.000	1.104	-0.290
F5	0.000	-1.104	-0.290

	C1	H2	H3	F4	F5
C1		1.0937	1.0937	1.3598	1.3598
H2	1.0937		1.8308	1.9989	1.9989
H3	1.0937	1.8308		1.9989	1.9989
F4	1.3598	1.9989	1.9989		2.2079
F5	1.3598	1.9989	1.9989	2.2079

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.645	H2	C1	F4	108.633
H2	C1	F5	108.633	H3	C1	F4	108.633
H3	C1	F5	108.633	F4	C1	F5	108.555

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

using model chemistry: PBE1PBE/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	0.290
2	H	0.149
3	H	0.149
4	F	-0.294
5	F	-0.294

	x	y	z	Total
	0.000	0.000	2.086	2.086
CHELPG
AIM
ESP

<r²>	39.503
(<r²>)^1/2	6.285

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

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

States and conformations

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