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	hartrees
Energy at 0K	-235.628110
Energy at 298.15K	-235.630810
HF Energy	-235.628110
Nuclear repulsion energy	74.287978

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	3105	3105	34.07	44.72	0.14	0.24
2	A₁	1644	1644	2.44	14.08	0.74	0.85
3	A₁	1141	1141	21.84	3.57	0.22	0.36
4	A₁	483	483	3.18	1.68	0.73	0.84
5	A₂	1270	1270	0.00	11.47	0.75	0.86
6	B₁	3188	3188	40.18	34.76	0.75	0.86
7	B₁	1136	1136	12.74	2.01	0.75	0.86
8	B₂	1518	1518	36.77	3.97	0.75	0.86
9	B₂	1183	1183	51.68	2.86	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.511
H2	-0.920	0.000	1.174
H3	0.920	0.000	1.174
F4	0.000	1.149	-0.301
F5	0.000	-1.149	-0.301

	C1	H2	H3	F4	F5
C1		1.1336	1.1336	1.4074	1.4074
H2	1.1336		1.8397	2.0837	2.0837
H3	1.1336	1.8397		2.0837	2.0837
F4	1.4074	2.0837	2.0837		2.2986
F5	1.4074	2.0837	2.0837	2.2986

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	108.474	H2	C1	F4	109.712
H2	C1	F5	109.712	H3	C1	F4	109.712
H3	C1	F5	109.712	F4	C1	F5	109.502

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

using model chemistry: TPSSh/STO-3G

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	0.070
2	H	0.060
3	H	0.060
4	F	-0.095
5	F	-0.095

	x	y	z	Total
	0.000	0.000	0.921	0.921
CHELPG
AIM
ESP

<r²>	40.486
(<r²>)^1/2	6.363

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

using model chemistry: TPSSh/STO-3G

States and conformations

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