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	hartrees
Energy at 0K	-238.973201
Energy at 298.15K	-238.976026
HF Energy	-238.973201
Nuclear repulsion energy	76.902093

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	3059	2931	51.39	100.72	0.12	0.21
2	A₁	1568	1502	4.09	9.12	0.74	0.85
3	A₁	1130	1083	97.98	4.52	0.23	0.37
4	A₁	519	497	4.17	1.78	0.73	0.85
5	A₂	1277	1223	0.00	14.46	0.75	0.86
6	B₁	3122	2991	73.01	48.63	0.75	0.86
7	B₁	1196	1146	19.98	2.65	0.75	0.86
8	B₂	1502	1439	46.26	5.83	0.75	0.86
9	B₂	1129	1081	207.49	3.22	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.499
H2	-0.910	0.000	1.110
H3	0.910	0.000	1.110
F4	0.000	1.109	-0.290
F5	0.000	-1.109	-0.290

	C1	H2	H3	F4	F5
C1		1.0958	1.0958	1.3611	1.3611
H2	1.0958		1.8197	2.0043	2.0043
H3	1.0958	1.8197		2.0043	2.0043
F4	1.3611	2.0043	2.0043		2.2182
F5	1.3611	2.0043	2.0043	2.2182

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.250	H2	C1	F4	108.851
H2	C1	F5	108.851	H3	C1	F4	108.851
H3	C1	F5	108.851	F4	C1	F5	109.142

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

using model chemistry: B3LYPultrafine/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	0.299
2	H	0.132
3	H	0.132
4	F	-0.281
5	F	-0.281

	x	y	z	Total
	0.000	0.000	1.718	1.718
CHELPG
AIM
ESP

<r²>	39.298
(<r²>)^1/2	6.269

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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