%chk=000100891.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100891

0 1
 O   0.7239000       2.328900      0.2109000    
 O    3.295300      -1.568300      0.4718000    
 C   0.4942000      0.1109000     -0.6683000    
 C  -0.7982000      0.3156000      -1.384100    
 C    2.436900      0.6882000      0.7040000    
 C    1.160300       1.195000      9.7300000E-02
 C    1.235800      -1.001300     -0.5896000    
 C    2.438300     -0.7350000      0.2290000    
 C   -1.926600      0.6080000     -0.4388000    
 C   -2.716000     -0.2741000      0.2040000    
 C   -3.833400      8.6700000E-02   1.141300    
 C   -2.510500      -1.754600      2.2500001E-02
 H  -0.6955000       1.162800      -2.074300    
 H   -1.032400     -0.5405000      -2.026700    
 H    2.382300      0.7264000       1.793300    
 H    3.293200       1.227300      0.2954000    
 H    1.021700      -1.957300      -1.038900    
 H   -2.111000       1.666900     -0.2605000    
 H   -4.784200     -0.3117000      0.7731000    
 H   -3.941200       1.171800       1.240600    
 H   -3.643500     -0.3232000       2.138300    
 H   -1.678700      -2.028800     -0.6280000    
 H   -2.321500      -2.223800      0.9944000    
 H   -3.414800      -2.204900     -0.4013000    


%chk=000100891-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100891

0 1
O 0.820359 2.506298 -0.134966
O 3.516558 -1.429097 0.704031
C 0.583640 0.112160 -0.629150
C -0.761250 0.208007 -1.305396
C 2.577920 0.884496 0.595393
C 1.267914 1.332936 -0.060101
C 1.365361 -0.993468 -0.389264
C 2.607608 -0.632704 0.349995
C -1.853827 0.483989 -0.271580
C -2.789490 -0.395682 0.188381
C -3.815760 0.045094 1.220515
C -2.915757 -1.843028 -0.252101
H -0.736937 1.056748 -2.016575
H -0.967714 -0.710572 -1.879126
H 2.591166 1.118959 1.675398
H 3.454274 1.386609 0.147467
H 1.145610 -2.023498 -0.683301
H -1.845216 1.505797 0.131317
H -4.846138 -0.072679 0.830567
H -3.677856 1.099749 1.513636
H -3.749643 -0.579034 2.133876
H -2.179527 -2.135860 -1.018261
H -2.789577 -2.522478 0.614080
H -3.927318 -2.037743 -0.659437


