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	hartrees
Energy at 0K	-239.008782
Energy at 298.15K	-239.011626
HF Energy	-239.008782
Nuclear repulsion energy	77.505504

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	3059	3059	42.37	110.27	0.07	0.13
2	A₁	1540	1540	0.12	3.51	0.74	0.85
3	A₁	1137	1137	104.01	5.77	0.16	0.27
4	A₁	535	535	4.92	1.18	0.62	0.76
5	A₂	1285	1285	0.00	4.56	0.75	0.86
6	B₁	3132	3132	31.67	41.38	0.75	0.86
7	B₁	1194	1194	15.99	0.74	0.75	0.86
8	B₂	1465	1465	11.92	0.77	0.75	0.86
9	B₂	1107	1107	262.66	2.55	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.500
H2	-0.911	0.000	1.101
H3	0.911	0.000	1.101
F4	0.000	1.097	-0.289
F5	0.000	-1.097	-0.289

	C1	H2	H3	F4	F5
C1		1.0911	1.0911	1.3514	1.3514
H2	1.0911		1.8217	1.9912	1.9912
H3	1.0911	1.8217		1.9912	1.9912
F4	1.3514	1.9912	1.9912		2.1939
F5	1.3514	1.9912	1.9912	2.1939

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.188	H2	C1	F4	108.757
H2	C1	F5	108.757	H3	C1	F4	108.757
H3	C1	F5	108.757	F4	C1	F5	108.528

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

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	0.482
2	H	0.123
3	H	0.123
4	F	-0.364
5	F	-0.364

	x	y	z	Total
	0.000	0.000	1.965	1.965
CHELPG
AIM
ESP

<r²>	39.077
(<r²>)^1/2	6.251

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

using model chemistry: wB97X-D/6-311+G(3df,2p)

States and conformations

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