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	hartrees
Energy at 0K	-238.970451
Energy at 298.15K	-238.973268
HF Energy	-238.970451
Nuclear repulsion energy	76.769102

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	2943	52.77	109.06	0.12	0.21
2	A₁	1579	1514	4.82	8.96	0.73	0.84
3	A₁	1124	1078	97.26	4.62	0.23	0.37
4	A₁	511	490	4.16	1.87	0.73	0.85
5	A₂	1275	1223	0.00	14.60	0.75	0.86
6	B₁	3134	3007	77.29	52.04	0.75	0.86
7	B₁	1194	1146	18.91	2.93	0.75	0.86
8	B₂	1499	1438	44.57	5.95	0.75	0.86
9	B₂	1120	1075	211.76	3.13	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.502
H2	-0.911	0.000	1.109
H3	0.911	0.000	1.109
F4	0.000	1.111	-0.291
F5	0.000	-1.111	-0.291

	C1	H2	H3	F4	F5
C1		1.0942	1.0942	1.3647	1.3647
H2	1.0942		1.8218	2.0052	2.0052
H3	1.0942	1.8218		2.0052	2.0052
F4	1.3647	2.0052	2.0052		2.2214
F5	1.3647	2.0052	2.0052	2.2214

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.715	H2	C1	F4	108.778
H2	C1	F5	108.778	H3	C1	F4	108.778
H3	C1	F5	108.778	F4	C1	F5	108.952

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

using model chemistry: TPSSh/6-31G*

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	0.276
2	H	0.145
3	H	0.145
4	F	-0.283
5	F	-0.283

	x	y	z	Total
	0.000	0.000	1.737	1.737
CHELPG
AIM
ESP

<r²>	39.356
(<r²>)^1/2	6.273

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

using model chemistry: TPSSh/6-31G*

States and conformations

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