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	hartrees
Energy at 0K	-238.941468
Energy at 298.15K	-238.944298
HF Energy	-238.941468
Nuclear repulsion energy	77.056280

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	3105	2955	41.52	104.75	0.10	0.18
2	A₁	1538	1464	0.89	6.20	0.75	0.86
3	A₁	1133	1079	108.87	5.88	0.17	0.29
4	A₁	523	498	5.56	1.57	0.69	0.82
5	A₂	1278	1216	0.00	8.76	0.75	0.86
6	B₁	3186	3032	33.35	49.55	0.75	0.86
7	B₁	1184	1127	17.28	1.32	0.75	0.86
8	B₂	1464	1394	24.69	3.94	0.75	0.86
9	B₂	1114	1060	274.77	2.94	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.504
H2	-0.914	0.000	1.101
H3	0.914	0.000	1.101
F4	0.000	1.104	-0.290
F5	0.000	-1.104	-0.290

	C1	H2	H3	F4	F5
C1		1.0919	1.0919	1.3604	1.3604
H2	1.0919		1.8281	1.9978	1.9978
H3	1.0919	1.8281		1.9978	1.9978
F4	1.3604	1.9978	1.9978		2.2090
F5	1.3604	1.9978	1.9978	2.2090

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.683	H2	C1	F4	108.621
H2	C1	F5	108.621	H3	C1	F4	108.621
H3	C1	F5	108.621	F4	C1	F5	108.566

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

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

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	0.288
2	H	0.150
3	H	0.150
4	F	-0.294
5	F	-0.294

	x	y	z	Total
	0.000	0.000	2.107	2.107
CHELPG
AIM
ESP

<r²>	39.496
(<r²>)^1/2	6.285

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

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

States and conformations

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