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	hartrees
Energy at 0K	-239.053819
Energy at 298.15K	-239.056646
HF Energy	-239.053819
Nuclear repulsion energy	76.886958

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	3044	2943	48.15	109.29	0.10	0.19
2	A₁	1525	1475	1.37	6.17	0.74	0.85
3	A₁	1109	1073	108.23	3.77	0.29	0.46
4	A₁	523	506	4.84	1.97	0.72	0.84
5	A₂	1271	1229	0.00	10.88	0.75	0.86
6	B₁	3116	3012	53.87	48.10	0.75	0.86
7	B₁	1181	1141	21.28	2.00	0.75	0.86
8	B₂	1474	1425	28.30	4.48	0.75	0.86
9	B₂	1086	1050	240.63	2.92	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.503
H2	-0.913	0.000	1.104
H3	0.913	0.000	1.104
F4	0.000	1.108	-0.290
F5	0.000	-1.108	-0.290

	C1	H2	H3	F4	F5
C1		1.0926	1.0926	1.3631	1.3631
H2	1.0926		1.8254	2.0013	2.0013
H3	1.0926	1.8254		2.0013	2.0013
F4	1.3631	2.0013	2.0013		2.2164
F5	1.3631	2.0013	2.0013	2.2164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.299	H2	C1	F4	108.669
H2	C1	F5	108.669	H3	C1	F4	108.669
H3	C1	F5	108.669	F4	C1	F5	108.783

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	0.297
2	H	0.092
3	H	0.092
4	F	-0.240
5	F	-0.240

	x	y	z	Total
	0.000	0.000	1.935	1.935
CHELPG
AIM
ESP

<r²>	39.462
(<r²>)^1/2	6.282

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-)