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	hartrees
Energy at 0K	-238.682355
Energy at 298.15K	-238.685140
HF Energy	-238.682355
Nuclear repulsion energy	75.261441

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	3130	2992	31.28	105.45	0.11	0.20
2	A₁	1564	1495	0.57	9.89	0.74	0.85
3	A₁	1078	1031	83.25	5.92	0.19	0.32
4	A₁	482	461	8.47	2.71	0.73	0.85
5	A₂	1256	1201	0.00	16.40	0.75	0.86
6	B₁	3219	3077	44.02	44.92	0.75	0.86
7	B₁	1152	1101	15.24	3.91	0.75	0.86
8	B₂	1474	1409	23.16	6.29	0.75	0.86
9	B₂	1102	1053	179.76	4.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.516
H2	-0.912	0.000	1.113
H3	0.912	0.000	1.113
F4	0.000	1.137	-0.296
F5	0.000	-1.137	-0.296

	C1	H2	H3	F4	F5
C1		1.0896	1.0896	1.3973	1.3973
H2	1.0896		1.8234	2.0269	2.0269
H3	1.0896	1.8234		2.0269	2.0269
F4	1.3973	2.0269	2.0269		2.2747
F5	1.3973	2.0269	2.0269	2.2747

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.601	H2	C1	F4	108.548
H2	C1	F5	108.548	H3	C1	F4	108.548
H3	C1	F5	108.548	F4	C1	F5	108.967

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

using model chemistry: PBE1PBE/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	0.294
2	H	0.180
3	H	0.180
4	F	-0.327
5	F	-0.327

	x	y	z	Total
	0.000	0.000	2.349	2.349
CHELPG
AIM
ESP

<r²>	40.869
(<r²>)^1/2	6.393

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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