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	hartrees
Energy at 0K	-238.949286
Energy at 298.15K	-238.952109
HF Energy	-238.949286
Nuclear repulsion energy	76.863224

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	3079	2948	41.74	116.15	0.07	0.12
2	A₁	1505	1441	0.06	3.05	0.73	0.85
3	A₁	1114	1067	102.76	6.00	0.16	0.27
4	A₁	520	498	4.88	1.21	0.63	0.77
5	A₂	1259	1205	0.00	4.24	0.75	0.86
6	B₁	3165	3030	28.45	40.19	0.75	0.86
7	B₁	1169	1119	15.68	0.59	0.75	0.86
8	B₂	1435	1373	10.52	0.64	0.75	0.86
9	B₂	1085	1039	264.56	2.87	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.507
H2	-0.920	0.000	1.106
H3	0.920	0.000	1.106
F4	0.000	1.105	-0.292
F5	0.000	-1.105	-0.292

	C1	H2	H3	F4	F5
C1		1.0978	1.0978	1.3640	1.3640
H2	1.0978		1.8401	2.0057	2.0057
H3	1.0978	1.8401		2.0057	2.0057
F4	1.3640	2.0057	2.0057		2.2104
F5	1.3640	2.0057	2.0057	2.2104

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.884	H2	C1	F4	108.644
H2	C1	F5	108.644	H3	C1	F4	108.644
H3	C1	F5	108.644	F4	C1	F5	108.244

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	1.112
2	H	-0.183
3	H	-0.183
4	F	-0.373
5	F	-0.373

	x	y	z	Total
	0.000	0.000	2.011	2.011
CHELPG
AIM
ESP

<r²>	39.575
(<r²>)^1/2	6.291

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

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