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	hartrees
Energy at 0K	-239.060737
Energy at 298.15K
HF Energy	-239.060737
Nuclear repulsion energy	76.707780

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	3049	3049	38.66	128.88	0.07	0.12
2	A₁	1507	1507	0.41	3.60	0.71	0.83
3	A₁	1102	1102	97.60	6.61	0.14	0.24
4	A₁	519	519	4.50	1.22	0.61	0.76
5	A₂	1255	1255	0.00	5.08	0.75	0.86
6	B₁	3131	3131	29.04	47.91	0.75	0.86
7	B₁	1164	1164	16.15	0.69	0.75	0.86
8	B₂	1435	1435	11.78	0.83	0.75	0.86
9	B₂	1069	1069	258.82	2.34	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.508
H2	-0.921	0.000	1.109
H3	0.921	0.000	1.109
F4	0.000	1.108	-0.293
F5	0.000	-1.108	-0.293

	C1	H2	H3	F4	F5
C1		1.1002	1.1002	1.3665	1.3665
H2	1.1002		1.8426	2.0101	2.0101
H3	1.1002	1.8426		2.0101	2.0101
F4	1.3665	2.0101	2.0101		2.2153
F5	1.3665	2.0101	2.0101	2.2153

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.728	H2	C1	F4	108.671
H2	C1	F5	108.671	H3	C1	F4	108.671
H3	C1	F5	108.671	F4	C1	F5	108.303

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

using model chemistry: TPSSh/Sadlej_pVTZ

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	2.003
2	H	-0.527
3	H	-0.527
4	F	-0.474
5	F	-0.474

	x	y	z	Total
	0.000	0.000	1.925	1.925
CHELPG
AIM
ESP

<r²>	39.711
(<r²>)^1/2	6.302

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

using model chemistry: TPSSh/Sadlej_pVTZ

States and conformations

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