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	hartrees
Energy at 0K	-238.889863
Energy at 298.15K
HF Energy	-238.889863
Nuclear repulsion energy	77.118564

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3051	2924	52.41
2	A₁	1551	1487	3.11
3	A₁	1145	1098	99.68
4	A₁	523	502	4.32
5	A₂	1275	1222	0.00
6	B₁	3117	2988	69.57
7	B₁	1193	1143	18.93
8	B₂	1490	1428	40.58
9	B₂	1148	1100	209.45

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.497
H2	-0.909	0.000	1.110
H3	0.909	0.000	1.110
F4	0.000	1.105	-0.289
F5	0.000	-1.105	-0.289

	C1	H2	H3	F4	F5
C1		1.0964	1.0964	1.3565	1.3565
H2	1.0964		1.8185	2.0014	2.0014
H3	1.0964	1.8185		2.0014	2.0014
F4	1.3565	2.0014	2.0014		2.2109
F5	1.3565	2.0014	2.0014	2.2109

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.058	H2	C1	F4	108.898
H2	C1	F5	108.898	H3	C1	F4	108.898
H3	C1	F5	108.898	F4	C1	F5	109.152

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

using model chemistry: B3PW91/6-31G**

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	0.358
2	H	0.110
3	H	0.110
4	F	-0.288
5	F	-0.288

	x	y	z	Total
	0.000	0.000	1.720	1.720
CHELPG
AIM
ESP

<r²>	39.092
(<r²>)^1/2	6.252

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

using model chemistry: B3PW91/6-31G**

States and conformations

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