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	hartrees
Energy at 0K	-238.836903
Energy at 298.15K
HF Energy	-238.836903
Nuclear repulsion energy	76.509826

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	2954	2932	48.55	125.16	0.09	0.16
2	A₁	1475	1464	0.44	5.04	0.68	0.81
3	A₁	1081	1073	90.41	3.65	0.30	0.46
4	A₁	509	506	3.44	1.77	0.69	0.82
5	A₂	1222	1213	0.00	8.06	0.75	0.86
6	B₁	3020	2998	49.72	50.85	0.75	0.86
7	B₁	1144	1136	15.13	1.87	0.75	0.86
8	B₂	1405	1394	13.98	2.87	0.75	0.86
9	B₂	1049	1041	232.36	2.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.504
H2	-0.919	0.000	1.111
H3	0.919	0.000	1.111
F4	0.000	1.114	-0.292
F5	0.000	-1.114	-0.292

	C1	H2	H3	F4	F5
C1		1.1016	1.1016	1.3689	1.3689
H2	1.1016		1.8385	2.0134	2.0134
H3	1.1016	1.8385		2.0134	2.0134
F4	1.3689	2.0134	2.0134		2.2272
F5	1.3689	2.0134	2.0134	2.2272

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.122	H2	C1	F4	108.691
H2	C1	F5	108.691	H3	C1	F4	108.691
H3	C1	F5	108.691	F4	C1	F5	108.881

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

using model chemistry: PBEPBE/cc-pV(T+d)Z

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	0.288
2	H	0.033
3	H	0.033
4	F	-0.177
5	F	-0.177

	x	y	z	Total
	0.000	0.000	1.730	1.730
CHELPG
AIM
ESP

<r²>	39.830
(<r²>)^1/2	6.311

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

using model chemistry: PBEPBE/cc-pV(T+d)Z

States and conformations

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