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	hartrees
Energy at 0K	-238.761478
Energy at 298.15K	-238.764321
HF Energy	-238.761478
Nuclear repulsion energy	77.292674

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	3062	2922	51.29	104.20	0.11	0.20
2	A₁	1556	1485	3.20	8.65	0.74	0.85
3	A₁	1157	1104	101.37	4.26	0.24	0.39
4	A₁	528	504	4.49	1.67	0.73	0.85
5	A₂	1280	1221	0.00	13.80	0.75	0.86
6	B₁	3130	2987	67.88	48.73	0.75	0.86
7	B₁	1198	1143	19.51	2.33	0.75	0.86
8	B₂	1495	1427	42.33	5.20	0.75	0.86
9	B₂	1163	1110	208.70	3.20	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.497
H2	-0.909	0.000	1.109
H3	0.909	0.000	1.109
F4	0.000	1.102	-0.289
F5	0.000	-1.102	-0.289

	C1	H2	H3	F4	F5
C1		1.0963	1.0963	1.3533	1.3533
H2	1.0963		1.8182	1.9989	1.9989
H3	1.0963	1.8182		1.9989	1.9989
F4	1.3533	1.9989	1.9989		2.2041
F5	1.3533	1.9989	1.9989	2.2041

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	112.042	H2	C1	F4	108.926
H2	C1	F5	108.926	H3	C1	F4	108.926
H3	C1	F5	108.926	F4	C1	F5	109.050

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

using model chemistry: HSEh1PBE/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
You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	0.000	0.000	1.718	1.718
CHELPG
AIM
ESP

<r²>	38.961
(<r²>)^1/2	6.242

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

using model chemistry: HSEh1PBE/6-31G**

States and conformations

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