%chk=000080524.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080524

0 1
 O    3.497900      -1.985700     -8.3400004E-02
 O    3.894400       2.057900     -0.5316000    
 O    4.893400      0.3107000      0.5247000    
 C   0.1386000      0.4849000      2.8899999E-02
 C  -1.1700000E-02 -0.9179000     -3.4200002E-02
 C   -2.297700      0.7453000      4.0600002E-02
 C   -2.448000     -0.6575000     -2.2299999E-02
 C   -1.006400       1.298100      6.5499999E-02
 C   -1.303000      -1.470700     -5.8800001E-02
 C    1.430100       1.036900      5.3900000E-02
 C    1.133700      -1.730500     -7.0600003E-02
 C    2.557400      0.2157000      1.7000001E-02
 C    2.409400      -1.166100     -4.5299999E-02
 C   -3.443100       1.557900      7.7100001E-02
 C   -3.739500      -1.209500     -4.6999998E-02
 C   -4.718700      0.9935000      5.1700000E-02
 C   -4.866700     -0.3883000     -1.0300000E-02
 C    3.879800      0.8253000      4.4000000E-02
 H  -0.8910000       2.381000      0.1142000    
 H   -1.419200      -2.553500     -0.1074000    
 H    1.536300       2.118700      0.1164000    
 H    1.034200      -2.813500     -0.1196000    
 H   -3.351000       2.641000      0.1258000    
 H   -3.878800      -2.287500     -9.5299996E-02
 H   -5.595700       1.633400      8.0499999E-02
 H   -5.859400     -0.8285000     -2.9999999E-02
 H    4.317300      -1.466800     -0.1104000    
 H    4.788600       2.460800     -0.5092000    


%chk=000080524-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080524

0 1
O 3.539249 -2.031737 -0.082306
O 3.991301 2.218480 -0.046369
O 5.005524 0.140016 -0.077442
C 0.126458 0.512657 -0.020962
C -0.014832 -0.945129 -0.031152
C -2.332153 0.772806 0.008855
C -2.476828 -0.683119 -0.001029
C -1.033668 1.331453 -0.001504
C -1.320389 -1.500147 -0.020593
C 1.439615 1.072845 -0.030455
C 1.162583 -1.761148 -0.051347
C 2.581101 0.260161 -0.049958
C 2.436260 -1.195220 -0.061526
C -3.518949 1.592181 0.029037
C -3.806383 -1.241607 0.009474
C -4.783889 1.015111 0.038971
C -4.927357 -0.418230 0.028942
C 3.933022 0.829545 -0.058977
H -0.916787 2.422626 0.005713
H -1.436516 -2.590779 -0.027958
H 1.566158 2.160306 -0.021973
H 1.078193 -2.852035 -0.059616
H -3.405025 2.682839 0.036621
H -3.918871 -2.332201 0.001831
H -5.679773 1.645019 0.054436
H -5.931648 -0.855956 0.036901
H 4.379877 -1.465040 -0.087288
H 4.944926 2.501404 -0.055427


