Completed calculations for C_{4}H_{6}(CH_{3})_{2} (dimethylcyclobutane)
Methods and basis sets for which an energy has been calculated.
"e" indicates just an energy has been calculated.
"o" indicates an optimized geometry. "v" indicates vibrational frequencies.
"s" followed by a number indicates completed calculations for different states (for example s1ov).
"c" followed by a number indicates completed calculations for different conformations (for example c2ov).
See the Calculated Energies page
(section III.A.1) for more calculated properties.
Methods with predefined basis sets
semiempirical 
AM1 
c1ov 
PM3 
c1ov c2ov 
composite 
G1 
c2e 
G2MP2 
c2e 
G2 
c2e 
G3 
c2e 
G3B3 
c2e 
G3MP2 
c2e 
G4 
c1e c2e 
CBSQ 
c2e 
Methods with standard basis sets


STO3G 
321G 
321G* 
631G 
631G* 
631G** 
631+G** 
6311G* 
6311G** 
631G(2df,p) 
TZVP 
ccpVDZ 
ccpVTZ 
augccpVDZ 
augccpVTZ 
hartree fock 
HF 
c2ov 
c2ov 
c2ov 
c2ov 
c1o c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c1o c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
density functional 
LSDA 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 

c2ov 
c2ov 
c2ov 

SVWN 

c1o 


c1o 

c1o 








BLYP 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 

c2ov 
c2ov 


B1B95 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 

c2ov 
c2ov 
c2ov 
c2ov 
B3LYP 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c1o c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
B3LYPultrafine 




c2ov 









c2ov 
B3PW91 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 

c2ov 
c2ov 


mPW1PW91 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 

c2ov 
c2ov 


M062X 




c1o 










PBEPBE 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 

c2ov 
c2ov 


PBE1PBE 




c1o 










HSEh1PBE 




c1o 










TPSSh 




c1o c2ov 

c1o c2ov 








Moller Plesset perturbation 
MP2 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c1o c2ov 
c2ov 
c2ov 
c2ov 

MP2=FULL 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 

c2ov 
c2ov 
c2ov 

MP3 




c2ov 

c1o c2o 








MP3=FULL 




c1o c2ov 

c1o c2ov 








MP4 

c2ov 













B2PLYP 




c1o 







c1o c2ov 


Configuration interaction 
CID 

c2ov 
c2ov 
c2ov 
c2ov 


c2ov 







CISD 

c2ov 
c2ov 
c2ov 
c2ov 


c2ov 







Quadratic configuration interaction 
QCISD 

c2ov 
c2ov 
c2ov 
c2ov 


c2ov 







Coupled Cluster 
CCD 

c2ov 
c2ov 
c2ov 
c2ov 
c2ov 

c2ov 



c2ov 



Methods with effective core potentials (select basis sets)


CEP31G 
CEP31G* 
CEP121G 
CEP121G* 
LANL2DZ 
SDD 
hartree fock 
HF 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
density functional 
B3LYP 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
Moller Plesset perturbation 
MP2 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
c2ov 
Single point energy calculations (select basis sets)


augccpVTZ 
Moller Plesset perturbation 
MP2FC// MP2FC/631G* 
c2e 
Coupled Cluster 
CCSD// MP2FC/631G* 
c2e 
CCSD(T)// MP2FC/631G* 
c2e 
For descriptions of the methods (AM1, HF, MP2, ...) and basis sets (321G, 321G*, 631G, ...) see the
glossary in section I.C.
Predefined means the basis set used is determined by the method.