%chk=000100580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100580

0 1
 O   -5.911200     -0.8486000     -2.8300000E-02
 O    4.953400      -1.004200     -5.5799998E-02
 O    3.158100       2.598900      0.1770000    
 O    4.975500       1.368400      0.2220000    
 N    3.735900       1.491600      0.1059000    
 C   -2.797700      0.6678000     -0.3035000    
 C   -3.536100     -0.5061000      0.3734000    
 C   -1.299400      0.6220000     -8.3999997E-03
 C  -0.7216000     -0.6925000     -0.6193000    
 C   -3.041300      -1.799200     -0.2648000    
 C   -3.616100       1.894800      8.1500001E-02
 C   -1.512000      -1.938800     -0.1335000    
 C  -0.5417000       1.815600     -0.5918000    
 C   -4.958000     -8.5199997E-02  4.9199998E-02
 C   -5.060600       1.419600     -0.1359000    
 C   0.7908000     -0.7706000     -0.4312000    
 C   -3.438200     -0.5728000       1.908700    
 C   0.9171000       1.770400     -0.1462000    
 C    1.552100      0.4053000     -0.2532000    
 C    1.472700      -1.997300     -0.5183000    
 C    2.949000      0.3212000     -0.1162000    
 C    2.861600      -2.065700     -0.3891000    
 C    3.599800     -0.9073000     -0.1836000    
 C    5.467600      -1.187200       1.261500    
 H   -2.909300      0.5719000      -1.397600    
 H   -1.138000      0.6272000       1.077300    
 H  -0.8685000     -0.6435000      -1.709700    
 H   -3.314300      -1.823500      -1.328100    
 H   -3.530700      -2.669300      0.1898000    
 H   -3.392200       2.764200     -0.5444000    
 H   -3.448200       2.182900       1.124800    
 H   -1.250200      -2.156000      0.9094000    
 H   -1.218500      -2.822000     -0.7126000    
 H  -0.9826000       2.764500     -0.2661000    
 H  -0.6044000       1.795500      -1.688100    
 H   -5.394000       1.627900      -1.156600    
 H   -5.742900       1.859400      0.5945000    
 H   -2.414900     -0.7205000       2.263400    
 H   -3.827000      0.3297000       2.392300    
 H   -4.037600      -1.408600       2.289900    
 H   0.9644000       2.127100      0.8900000    
 H    1.367800       2.476200     -0.8517000    
 H   0.9387000      -2.925900     -0.6958000    
 H    3.357500      -3.030500     -0.4551000    
 H    6.518400     -0.8845000       1.268200    
 H    5.410200      -2.247100       1.528300    
 H    4.923000     -0.5969000       2.006200    


%chk=000100580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100580

0 1
O -5.985038 -1.004863 -0.061065
O 5.035588 -0.896368 -0.065161
O 3.786855 2.532380 -0.673728
O 4.465871 1.592185 1.286923
N 3.787654 1.574837 0.189335
C -2.842154 0.689084 -0.309471
C -3.565035 -0.532073 0.335648
C -1.330473 0.679138 -0.029182
C -0.733409 -0.638297 -0.621821
C -3.020244 -1.832336 -0.286799
C -3.719947 1.906241 0.088727
C -1.477267 -1.913810 -0.119242
C -0.583023 1.877764 -0.644189
C -5.039972 -0.188321 0.051243
C -5.165287 1.349066 -0.067375
C 0.791804 -0.693640 -0.425543
C -3.458082 -0.576644 1.894801
C 0.900609 1.884030 -0.225672
C 1.553144 0.504063 -0.262633
C 1.473145 -1.939760 -0.438501
C 2.955201 0.373454 -0.075578
C 2.869522 -2.038722 -0.292022
C 3.632211 -0.869808 -0.100416
C 5.640816 -1.416656 1.180960
H -2.959887 0.568503 -1.413007
H -1.158381 0.693719 1.068361
H -0.918095 -0.579179 -1.720168
H -3.277987 -1.854688 -1.364936
H -3.497456 -2.718732 0.171080
H -3.543607 2.785976 -0.553618
H -3.521799 2.215426 1.132079
H -1.215609 -2.095241 0.941640
H -1.126373 -2.799481 -0.681342
H -1.047195 2.831471 -0.330857
H -0.666075 1.827220 -1.749233
H -5.584794 1.578057 -1.066228
H -5.890128 1.735134 0.671711
H -2.419322 -0.740411 2.227059
H -3.817089 0.354184 2.369083
H -4.075108 -1.409629 2.276777
H 0.987834 2.283930 0.806499
H 1.472578 2.577661 -0.865800
H 0.902725 -2.861654 -0.580543
H 3.377513 -3.006386 -0.351410
H 6.721745 -1.459519 0.982615
H 5.259781 -2.428767 1.417318
H 5.430638 -0.720240 2.012081


