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	hartrees
Energy at 0K	-239.050713
Energy at 298.15K	-239.053540
HF Energy	-239.050713
Nuclear repulsion energy	76.948441

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	3060	2957	52.51	103.80	0.11	0.20
2	A₁	1545	1493	1.96	6.95	0.74	0.85
3	A₁	1113	1075	110.03	3.71	0.29	0.45
4	A₁	525	507	4.75	2.01	0.72	0.84
5	A₂	1284	1241	0.00	12.04	0.75	0.86
6	B₁	3131	3025	62.88	49.12	0.75	0.86
7	B₁	1191	1151	22.10	2.07	0.75	0.86
8	B₂	1489	1438	33.31	5.37	0.75	0.86
9	B₂	1090	1053	243.97	2.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.502
H2	-0.912	0.000	1.102
H3	0.912	0.000	1.102
F4	0.000	1.108	-0.290
F5	0.000	-1.108	-0.290

	C1	H2	H3	F4	F5
C1		1.0922	1.0922	1.3616	1.3616
H2	1.0922		1.8248	1.9992	1.9992
H3	1.0922	1.8248		1.9992	1.9992
F4	1.3616	1.9992	1.9992		2.2162
F5	1.3616	1.9992	1.9992	2.2162

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.314	H2	C1	F4	108.626
H2	C1	F5	108.626	H3	C1	F4	108.626
H3	C1	F5	108.626	F4	C1	F5	108.946

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

using model chemistry: B3LYP/6-311G*

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	0.113
2	H	0.182
3	H	0.182
4	F	-0.239
5	F	-0.239

	x	y	z	Total
	0.000	0.000	1.923	1.923
CHELPG
AIM
ESP	0.013	0.000	1.969	1.969

<r²>	39.441
(<r²>)^1/2	6.280

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

using model chemistry: B3LYP/6-311G*

States and conformations

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