%chk=000096794.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096794

0 1
 O  -0.2338000      0.7700000      0.7965000    
 O   -3.241600      -1.798500     -0.4726000    
 O   -3.121400      0.6183000      0.8853000    
 O  -0.6606000      -2.834000      0.2643000    
 O   0.9346000     -0.7432000     -0.5986000    
 O  -0.2256000       3.513100     -0.2710000    
 O   -3.549200      -1.549000      -2.748500    
 O   -4.899300       1.497500     -0.2992000    
 O  -0.4171000      -3.232700       2.526800    
 O   -1.260500       5.448000      0.4515000    
 O    6.888600       1.031900      0.3309000    
 O    7.207100      -1.021900     -0.3762000    
 N    6.447100     -6.8599999E-02 -7.9499997E-02
 C   -2.051200      -1.018200     -0.5386000    
 C   -2.382100      0.4620000     -0.3283000    
 C   -1.073400      -1.498400      0.5340000    
 C   -1.091800       1.286700     -0.2327000    
 C   0.1573000     -0.5898000      0.5881000    
 C   -1.361200       2.751000      9.6799999E-02
 C   -3.893400      -1.985300      -1.658500    
 C   -4.369800       1.150500      0.7479000    
 C    2.286600     -0.5781000     -0.4708000    
 C  -0.3613000      -3.594900       1.359400    
 C   -5.118800      -2.819300      -1.437200    
 C   -5.022400       1.254200       2.093100    
 C  -0.3055000       4.860800     -3.8699999E-02
 C   5.4400001E-02  -4.968000      0.9257000    
 C    2.800900      0.6364000     -1.6700000E-02
 C    3.150700      -1.623900     -0.7952000    
 C    4.179400      0.8051000      0.1129000    
 C    4.529200      -1.455100     -0.6657000    
 C   0.9606000       5.534300     -0.4739000    
 C    5.043600     -0.2407000     -0.2116000    
 H   -1.566900      -1.159100      -1.514800    
 H   -2.952900      0.8118000      -1.196600    
 H   -1.605800      -1.454600       1.494500    
 H  -0.5495000       1.232800      -1.185800    
 H   0.7622000     -0.8896000       1.454200    
 H   -2.221000       3.114500     -0.4778000    
 H   -1.552100       2.881000       1.168900    
 H   -4.834500      -3.797700      -1.041800    
 H   -5.635700      -2.964900      -2.390000    
 H   -5.795300      -2.306900     -0.7484000    
 H   -4.434700       1.910500       2.740000    
 H   -6.022700       1.681800       1.979000    
 H   -5.117100      0.2597000       2.536300    
 H   0.9463000      -4.902800      0.2972000    
 H   0.2920000      -5.570600       1.807000    
 H  -0.7643000      -5.449100      0.3847000    
 H    2.149100       1.470100      0.2249000    
 H    2.754500      -2.572200      -1.148200    
 H    4.544600       1.766200      0.4659000    
 H    5.172100      -2.291800     -0.9274000    
 H    1.107400       5.387800      -1.547000    
 H   0.8884000       6.607200     -0.2743000    
 H    1.806300       5.131300      8.9000002E-02


%chk=000096794-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000096794

0 1
O -0.221506 0.756823 0.925875
O -3.266500 -1.830287 -0.445685
O -3.148158 0.734357 0.766328
O -0.846510 -2.941775 0.563904
O 0.937772 -0.979887 -0.296896
O 0.030646 3.414834 -0.347718
O -3.322923 -1.680764 -2.775151
O -5.067753 0.666774 -0.570285
O -0.376895 -3.087644 2.842857
O -0.929415 5.399702 0.402017
O 6.898397 1.266554 0.328499
O 7.129062 -0.117255 -1.472060
N 6.423351 0.430861 -0.537054
C -1.994719 -1.080358 -0.467261
C -2.293553 0.435154 -0.415507
C -1.177618 -1.514912 0.747486
C -0.993905 1.239031 -0.253477
C 0.101117 -0.650196 0.872222
C -1.241481 2.722367 -0.023443
C -3.870210 -2.034052 -1.710435
C -4.540920 0.808124 0.553080
C 2.282170 -0.576231 -0.291909
C -0.476119 -3.643281 1.726784
C -5.222020 -2.677643 -1.548574
C -5.245799 1.083212 1.859088
C 0.055866 4.793077 -0.071089
C -0.228667 -5.096386 1.403650
C 2.831366 0.344565 0.638757
C 3.084870 -1.151850 -1.309457
C 4.197953 0.667259 0.557754
C 4.445870 -0.822556 -1.395142
C 1.403234 5.376629 -0.428223
C 4.991315 0.082375 -0.453628
H -1.453241 -1.303268 -1.404992
H -2.833364 0.730889 -1.334168
H -1.749677 -1.382277 1.683041
H -0.378233 1.095499 -1.163675
H 0.642986 -0.866349 1.808130
H -2.039450 3.103750 -0.686887
H -1.523678 2.921534 1.022972
H -5.230172 -3.379484 -0.700167
H -5.507430 -3.189685 -2.479422
H -5.959604 -1.879671 -1.343429
H -4.819760 1.977131 2.345375
H -6.319724 1.230775 1.677516
H -5.099732 0.234130 2.549700
H 0.565579 -5.184365 0.642308
H 0.066870 -5.634802 2.315094
H -1.139884 -5.551191 0.978457
H 2.197870 0.830933 1.383911
H 2.624345 -1.854106 -2.009901
H 4.657583 1.371800 1.255783
H 5.092044 -1.251796 -2.164881
H 1.618795 5.212199 -1.498097
H 1.409807 6.453634 -0.209020
H 2.200254 4.873699 0.146245


