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	hartrees
Energy at 0K	-238.841543
Energy at 298.15K
HF Energy	-238.841543
Nuclear repulsion energy	76.523254

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	2948	2948	49.21	125.81	0.08	0.16
2	A₁	1474	1474	0.43	5.06	0.68	0.81
3	A₁	1081	1081	89.85	3.61	0.30	0.46
4	A₁	510	510	3.40	1.76	0.70	0.82
5	A₂	1222	1222	0.00	8.08	0.75	0.86
6	B₁	3013	3013	50.30	51.31	0.75	0.86
7	B₁	1144	1144	15.03	1.83	0.75	0.86
8	B₂	1405	1405	13.45	2.88	0.75	0.86
9	B₂	1049	1049	229.96	2.28	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.504
H2	-0.919	0.000	1.112
H3	0.919	0.000	1.112
F4	0.000	1.113	-0.292
F5	0.000	-1.113	-0.292

	C1	H2	H3	F4	F5
C1		1.1018	1.1018	1.3685	1.3685
H2	1.1018		1.8385	2.0133	2.0133
H3	1.1018	1.8385		2.0133	2.0133
F4	1.3685	2.0133	2.0133		2.2268
F5	1.3685	2.0133	2.0133	2.2268

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.089	H2	C1	F4	108.696
H2	C1	F5	108.696	H3	C1	F4	108.696
H3	C1	F5	108.696	F4	C1	F5	108.894

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

using model chemistry: PBEPBE/cc-pCVTZ

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	0.191
2	H	0.071
3	H	0.071
4	F	-0.167
5	F	-0.167

	x	y	z	Total
	0.000	0.000	1.724	1.724
CHELPG
AIM
ESP

<r²>	39.813
(<r²>)^1/2	6.310

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

using model chemistry: PBEPBE/cc-pCVTZ

States and conformations

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