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	hartrees
Energy at 0K	-238.919883
Energy at 298.15K	-238.922728
HF Energy	-238.919883
Nuclear repulsion energy	77.318511

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	3072	2923	50.88	104.30	0.11	0.20
2	A₁	1562	1486	3.16	8.50	0.74	0.85
3	A₁	1158	1102	101.65	4.25	0.24	0.39
4	A₁	529	503	4.59	1.66	0.73	0.85
5	A₂	1285	1222	0.00	13.52	0.75	0.86
6	B₁	3140	2988	66.84	48.64	0.75	0.86
7	B₁	1201	1143	19.61	2.28	0.75	0.86
8	B₂	1500	1428	41.73	5.09	0.75	0.86
9	B₂	1164	1108	209.80	3.17	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.497
H2	-0.908	0.000	1.108
H3	0.908	0.000	1.108
F4	0.000	1.102	-0.289
F5	0.000	-1.102	-0.289

	C1	H2	H3	F4	F5
C1		1.0946	1.0946	1.3531	1.3531
H2	1.0946		1.8161	1.9972	1.9972
H3	1.0946	1.8161		1.9972	1.9972
F4	1.3531	1.9972	1.9972		2.2039
F5	1.3531	1.9972	1.9972	2.2039

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.100	H2	C1	F4	108.909
H2	C1	F5	108.909	H3	C1	F4	108.909
H3	C1	F5	108.909	F4	C1	F5	109.058

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

using model chemistry: mPW1PW91/6-31G**

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	0.363
2	H	0.112
3	H	0.112
4	F	-0.293
5	F	-0.293

	x	y	z	Total
	0.000	0.000	1.738	1.738
CHELPG
AIM
ESP

<r²>	38.924
(<r²>)^1/2	6.239

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

using model chemistry: mPW1PW91/6-31G**

States and conformations

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