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	hartrees
Energy at 0K	-239.035124
Energy at 298.15K	-239.037968
HF Energy	-239.035124
Nuclear repulsion energy	77.474164

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	3067	3067	45.29	112.98	0.09	0.16
2	A₁	1537	1537	0.47	3.80	0.72	0.84
3	A₁	1141	1141	104.07	4.11	0.25	0.40
4	A₁	535	535	4.68	1.45	0.68	0.81
5	A₂	1282	1282	0.00	6.81	0.75	0.86
6	B₁	3138	3138	39.47	42.84	0.75	0.86
7	B₁	1192	1192	17.65	1.31	0.75	0.86
8	B₂	1467	1467	16.68	1.84	0.75	0.86
9	B₂	1120	1120	250.97	2.57	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.499
H2	-0.910	0.000	1.101
H3	0.910	0.000	1.101
F4	0.000	1.098	-0.289
F5	0.000	-1.098	-0.289

	C1	H2	H3	F4	F5
C1		1.0910	1.0910	1.3517	1.3517
H2	1.0910		1.8195	1.9916	1.9916
H3	1.0910	1.8195		1.9916	1.9916
F4	1.3517	1.9916	1.9916		2.1964
F5	1.3517	1.9916	1.9916	2.1964

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.992	H2	C1	F4	108.773
H2	C1	F5	108.773	H3	C1	F4	108.773
H3	C1	F5	108.773	F4	C1	F5	108.675

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

using model chemistry: mPW1PW91/Def2TZVPP

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	0.233
2	H	0.085
3	H	0.085
4	F	-0.202
5	F	-0.202

	x	y	z	Total
	0.000	0.000	1.869	1.869
CHELPG
AIM
ESP

<r²>	39.041
(<r²>)^1/2	6.248

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

using model chemistry: mPW1PW91/Def2TZVPP

States and conformations

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