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	hartrees
Energy at 0K	-239.046622
Energy at 298.15K	-239.049391
HF Energy	-239.046622
Nuclear repulsion energy	76.075424

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	2962	2946	41.08	116.80	0.08	0.14
2	A₁	1481	1472	0.13	3.93	0.74	0.85
3	A₁	1045	1040	89.82	6.68	0.16	0.27
4	A₁	496	493	3.69	1.52	0.62	0.76
5	A₂	1223	1216	0.00	4.72	0.75	0.86
6	B₁	3033	3016	32.46	48.44	0.75	0.86
7	B₁	1141	1135	12.64	1.00	0.75	0.86
8	B₂	1401	1394	7.77	0.99	0.75	0.86
9	B₂	985	980	258.51	2.52	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.512
H2	-0.920	0.000	1.109
H3	0.920	0.000	1.109
F4	0.000	1.120	-0.294
F5	0.000	-1.120	-0.294

	C1	H2	H3	F4	F5
C1		1.0969	1.0969	1.3797	1.3797
H2	1.0969		1.8402	2.0171	2.0171
H3	1.0969	1.8402		2.0171	2.0171
F4	1.3797	2.0171	2.0171		2.2405
F5	1.3797	2.0171	2.0171	2.2405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	114.033	H2	C1	F4	108.529
H2	C1	F5	108.529	H3	C1	F4	108.529
H3	C1	F5	108.529	F4	C1	F5	108.574

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

using model chemistry: BLYP/6-311+G(3df,2p)

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	0.423
2	H	0.150
3	H	0.150
4	F	-0.361
5	F	-0.361

	x	y	z	Total
	0.000	0.000	1.966	1.966
CHELPG
AIM
ESP

<r²>	40.435
(<r²>)^1/2	6.359

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

using model chemistry: BLYP/6-311+G(3df,2p)

States and conformations

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