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	hartrees
Energy at 0K	-55.225699
Energy at 298.15K	-55.228529
HF Energy	-55.225699
Nuclear repulsion energy	44.913696

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	3086	3086	57.34	114.89	0.10	0.19
2	A₁	1547	1547	2.56	6.75	0.75	0.86
3	A₁	1127	1127	111.60	5.29	0.24	0.39
4	A₁	524	524	5.12	1.83	0.70	0.82
5	A₂	1280	1280	0.00	12.58	0.75	0.86
6	B₁	3165	3165	57.26	50.57	0.75	0.86
7	B₁	1196	1196	20.88	2.01	0.75	0.86
8	B₂	1487	1487	37.85	5.89	0.75	0.86
9	B₂	1107	1107	270.65	3.63	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.507
H2	-0.916	0.000	1.107
H3	0.916	0.000	1.107
F4	0.000	1.109	-0.292
F5	0.000	-1.109	-0.292

	C1	H2	H3	F4	F5
C1		1.0950	1.0950	1.3667	1.3667
H2	1.0950		1.8314	2.0064	2.0064
H3	1.0950	1.8314		2.0064	2.0064
F4	1.3667	2.0064	2.0064		2.2181
F5	1.3667	2.0064	2.0064	2.2181

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.496	H2	C1	F4	108.688
H2	C1	F5	108.688	H3	C1	F4	108.688
H3	C1	F5	108.688	F4	C1	F5	108.484

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

using model chemistry: wB97X-D/CEP-121G*

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	0.175
2	H	0.153
3	H	0.153
4	F	-0.240
5	F	-0.240

	x	y	z	Total
	0.000	0.000	2.038	2.038
CHELPG
AIM
ESP

<r²>	33.767
(<r²>)^1/2	5.811

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

using model chemistry: wB97X-D/CEP-121G*

States and conformations

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