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	hartrees
Energy at 0K	-238.732539
Energy at 298.15K	-238.735337
HF Energy	-238.732539
Nuclear repulsion energy	76.417535

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	2952	2911	55.08	108.71	0.11	0.20
2	A₁	1499	1478	2.85	9.46	0.74	0.85
3	A₁	1101	1086	88.39	4.51	0.24	0.39
4	A₁	504	497	3.27	1.98	0.74	0.85
5	A₂	1222	1205	0.00	15.27	0.75	0.86
6	B₁	3012	2971	76.18	53.64	0.75	0.86
7	B₁	1154	1138	15.74	2.93	0.75	0.86
8	B₂	1438	1418	38.63	6.13	0.75	0.86
9	B₂	1095	1080	200.97	2.97	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.500
H2	-0.917	0.000	1.119
H3	0.917	0.000	1.119
F4	0.000	1.116	-0.291
F5	0.000	-1.116	-0.291

	C1	H2	H3	F4	F5
C1		1.1068	1.1068	1.3685	1.3685
H2	1.1068		1.8348	2.0193	2.0193
H3	1.1068	1.8348		2.0193	2.0193
F4	1.3685	2.0193	2.0193		2.2330
F5	1.3685	2.0193	2.0193	2.2330

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	111.971	H2	C1	F4	108.873
H2	C1	F5	108.873	H3	C1	F4	108.873
H3	C1	F5	108.873	F4	C1	F5	109.344

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

using model chemistry: PBEPBE/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	0.310
2	H	0.101
3	H	0.101
4	F	-0.256
5	F	-0.256

	x	y	z	Total
	0.000	0.000	1.566	1.566
CHELPG
AIM
ESP

<r²>	39.681
(<r²>)^1/2	6.299

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

using model chemistry: PBEPBE/6-31G**

States and conformations

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