%chk=000158070.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158070

0 1
 O   0.2456000       3.062200      -1.419200    
 O    4.210000       1.899100      0.1739000    
 O   -5.151200       1.585900      0.2708000    
 O   -6.015900     -0.6006000     -0.2495000    
 O    5.968400     -0.2104000      0.3316000    
 N   8.5100003E-02   1.189800      0.6425000    
 C    1.378100       1.535400      2.6600000E-02
 C  -0.4845000     -4.7600001E-02  0.2571000    
 C    2.349000      0.3756000      0.1115000    
 C   0.3844000      -1.148500      5.5000000E-03
 C    1.850700     -0.9461000      0.1000000    
 C   -1.901800     -0.1922000      0.1276000    
 C    1.167300       1.990200      -1.420600    
 C   -2.435000      -1.472300     -0.2073000    
 C    3.729000      0.6218000      0.1828000    
 C  -0.1853000      -2.383300     -0.3343000    
 C  -8.4299996E-02   1.531000       2.055700    
 C    2.780600      -1.996500      0.1885000    
 C   -1.567500      -2.544700     -0.4252000    
 C   -2.812600      0.8827000      0.2826000    
 C    4.627600     -0.4372000      0.2601000    
 C   -3.822300      -1.665800     -0.3373000    
 C   -4.167200      0.6547000      0.1433000    
 C    4.153600      -1.744200      0.2667000    
 C   -4.659100     -0.5876000     -0.1540000    
 C   -6.322500      0.7818000      2.3300000E-02
 C    6.679900     -0.1334000     -0.9025000    
 H    1.780100       2.391000      0.5855000    
 H   0.7743000       1.194200      -2.062600    
 H    2.104100       2.341800      -1.865300    
 H   0.4316000      -3.252200     -0.5477000    
 H   0.5837000      0.9280000       2.681200    
 H   -1.108400       1.378200       2.409800    
 H   0.1566000       2.587000       2.218800    
 H    2.461200      -3.035000      0.2087000    
 H   -1.956300      -3.526500     -0.6900000    
 H   -2.470600       1.889900      0.5025000    
 H   -4.236300      -2.638900     -0.5865000    
 H    4.846300      -2.579100      0.3338000    
 H  -0.5868000       2.735400      -1.037600    
 H    5.176400       1.871100      0.2790000    
 H   -6.859600       1.198800     -0.8364000    
 H   -6.974300      0.8301000      0.9033000    
 H    7.725300      9.7700000E-02 -0.6810000    
 H    6.273200      0.6596000      -1.538100    
 H    6.637000      -1.093000      -1.427100    


%chk=000158070-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158070

0 1
O -0.071739 3.157152 -1.650431
O 4.133579 2.170802 0.028291
O -5.263019 1.465764 0.674490
O -6.110153 -0.716753 0.140882
O 5.969341 0.227920 0.027706
N 0.010292 1.313633 0.462391
C 1.292766 1.699146 -0.201095
C -0.499303 0.021990 0.069208
C 2.313056 0.577353 -0.158597
C 0.393382 -1.010238 -0.319166
C 1.855234 -0.772529 -0.255148
C -1.925261 -0.191997 0.070359
C 0.981400 2.144494 -1.658185
C -2.442020 -1.501242 -0.287659
C 3.688203 0.843647 -0.059835
C -0.149806 -2.276241 -0.717186
C -0.023622 1.596232 1.925382
C 2.809813 -1.822118 -0.248327
C -1.519541 -2.521881 -0.686507
C -2.842082 0.873304 0.397328
C 4.633465 -0.218954 -0.066486
C -3.861054 -1.753915 -0.278689
C -4.191940 0.583357 0.394133
C 4.194194 -1.553411 -0.159879
C -4.696591 -0.711266 0.070626
C -6.504523 0.664216 0.524263
C 7.026214 -0.785047 0.010561
H 1.679132 2.585707 0.331299
H 0.685391 1.266795 -2.270920
H 1.874347 2.611622 -2.104122
H 0.527307 -3.067248 -1.055227
H 0.759547 1.034552 2.478311
H -1.004080 1.310139 2.338703
H 0.128851 2.676439 2.094857
H 2.481851 -2.864895 -0.284208
H -1.911064 -3.501080 -0.984385
H -2.471589 1.877236 0.612744
H -4.251773 -2.738299 -0.549406
H 4.908777 -2.381865 -0.155815
H -0.730550 2.832872 -0.973619
H 5.125792 2.162337 0.090002
H -7.117355 1.099616 -0.283393
H -7.030116 0.630663 1.493966
H 7.970389 -0.225470 0.078996
H 7.000683 -1.365684 -0.931179
H 6.931774 -1.468954 0.875466


