%chk=000178130.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178130

0 1
 O    2.284600      -1.702300      -1.203300    
 O    1.870800       2.817400      0.3145000    
 O   0.5852000      -3.405800     -6.5899998E-02
 C   -1.615200     -0.3742000       1.467500    
 C   -2.798600      0.4498000      0.9165000    
 C  -0.2973000     -6.3400000E-02  0.7789000    
 C   -3.095400      0.1573000     -0.5594000    
 C   -1.487700     -0.1751000       2.982800    
 C   0.3851000      -1.053900      9.7999997E-02
 C   -4.329600      0.9232000      -1.037700    
 C   0.1855000       1.230200      0.8593000    
 C    2.097400      0.5578000     -0.4558000    
 C    1.593200     -0.7408000     -0.5250000    
 C    1.393700       1.543400      0.2364000    
 C    3.392000      0.8959000      -1.123200    
 C   -4.612500      0.6607000      -2.508300    
 C  -0.1389000      -2.413500      2.3300000E-02
 C    4.587900      0.6933000     -0.1986000    
 H   -1.904100      -1.420800       1.367700    
 H   -2.623300       1.524700       1.047300    
 H   -3.694900      0.2134000       1.505300    
 H   -3.258200     -0.9186000     -0.6959000    
 H   -2.236100      0.4373000      -1.179500    
 H   -2.403200     -0.4975000       3.491500    
 H  -0.6577000     -0.7650000       3.388300    
 H   -1.317400      0.8730000       3.251400    
 H   -4.181400       1.998900     -0.8875000    
 H   -5.203500      0.6296000     -0.4446000    
 H  -0.3499000       2.008900       1.394500    
 H    3.528500      0.2722000      -2.016200    
 H    3.386300       1.917600      -1.520900    
 H   -5.499200       1.216600      -2.828800    
 H   -4.794900     -0.4035000      -2.688700    
 H   -3.770200      0.9758000      -3.132300    
 H   -1.228300      -2.554800     -1.4700000E-02
 H    4.520100       1.328700      0.6905000    
 H    5.515900      0.9423000     -0.7230000    
 H    4.658000     -0.3469000      0.1374000    
 H    1.767800      -2.519800      -1.274300    
 H    2.826700       2.838900      0.1536000    


%chk=000178130-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178130

0 1
O 2.369292 -1.734916 -1.227133
O 1.825912 2.812537 0.351807
O 0.612364 -3.421276 -0.674584
C -1.683733 -0.405030 1.519541
C -2.846573 0.459145 0.947283
C -0.354473 -0.125907 0.802254
C -3.175451 0.170516 -0.533831
C -1.536244 -0.195152 3.051330
C 0.385336 -1.140338 0.088729
C -4.359570 1.012617 -1.061919
C 0.173268 1.171173 0.853712
C 2.165585 0.531099 -0.496236
C 1.643823 -0.784755 -0.548377
C 1.404021 1.485523 0.220452
C 3.495619 0.867184 -1.147673
C -4.693945 0.718250 -2.539984
C -0.056524 -2.513744 -0.035073
C 4.686084 0.803243 -0.150603
H -1.973988 -1.460808 1.363938
H -2.603531 1.534177 1.069170
H -3.748427 0.271179 1.565784
H -3.413033 -0.907616 -0.656791
H -2.281215 0.366403 -1.159252
H -2.480396 -0.451292 3.566477
H -0.731571 -0.827481 3.467633
H -1.294759 0.856692 3.289198
H -4.120419 2.089169 -0.942327
H -5.253695 0.821412 -0.433522
H -0.343784 1.975655 1.383767
H 3.673629 0.143452 -1.960578
H 3.458334 1.868126 -1.630769
H -5.540796 1.334274 -2.894231
H -4.966783 -0.344689 -2.681107
H -3.825736 0.929739 -3.192206
H -1.009750 -2.818613 0.433458
H 4.551370 1.492805 0.703781
H 5.635225 1.060802 -0.654673
H 4.781772 -0.218222 0.255770
H 1.832647 -2.634539 -1.166435
H 2.681315 2.960208 -0.125680


