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	hartrees
Energy at 0K	-238.760120
Energy at 298.15K	-238.762893
HF Energy	-238.760120
Nuclear repulsion energy	76.043259

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	2993	2959	42.47	111.09	0.10	0.18
2	A₁	1472	1455	0.61	6.49	0.75	0.86
3	A₁	1069	1057	96.80	6.52	0.16	0.28
4	A₁	495	490	4.26	1.87	0.69	0.82
5	A₂	1216	1202	0.00	9.06	0.75	0.86
6	B₁	3071	3036	35.63	55.22	0.75	0.86
7	B₁	1133	1120	13.82	1.57	0.75	0.86
8	B₂	1397	1381	19.98	4.50	0.75	0.86
9	B₂	1031	1020	277.25	2.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.510
H2	-0.925	0.000	1.110
H3	0.925	0.000	1.110
F4	0.000	1.121	-0.293
F5	0.000	-1.121	-0.293

	C1	H2	H3	F4	F5
C1		1.1029	1.1029	1.3789	1.3789
H2	1.1029		1.8504	2.0205	2.0205
H3	1.1029	1.8504		2.0205	2.0205
F4	1.3789	2.0205	2.0205		2.2413
F5	1.3789	2.0205	2.0205	2.2413

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	114.041	H2	C1	F4	108.493
H2	C1	F5	108.493	H3	C1	F4	108.493
H3	C1	F5	108.493	F4	C1	F5	108.721

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

using model chemistry: PBEPBEultrafine/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	0.234
2	H	0.151
3	H	0.151
4	F	-0.268
5	F	-0.268

	x	y	z	Total
	0.000	0.000	2.027	2.027
CHELPG
AIM
ESP

<r²>	40.442
(<r²>)^1/2	6.359

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

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

States and conformations

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