%chk=000098021.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098021

0 1
 O   -1.743000       1.680000      0.6877000    
 O   -3.697500     -0.7213000      -1.279500    
 O   -4.329500     -0.4923000       1.482400    
 O   -6.825800      0.7177000       1.125900    
 O    4.459900       2.474000      0.9014000    
 O   0.9758000       4.948300     -0.7899000    
 N   0.3912000      0.3276000     -0.5844000    
 N    3.002800      0.2378000      0.5102000    
 N   0.6844000       2.693300     -0.6919000    
 N    2.707200       3.745300      4.7899999E-02
 C   -1.993800      0.4670000     -2.3200000E-02
 C  -0.9584000      0.3365000      -1.146500    
 C   -3.443000      0.4777000     -0.5491000    
 C   0.9569000     -0.9169000     -0.2298000    
 C   -4.492800      0.5969000      0.5720000    
 C    1.112800       1.500900     -0.3984000    
 C    2.257800     -0.9355000      0.3133000    
 C   0.2921000      -2.147400     -0.3881000    
 C   0.8954000      -3.353100     -2.0800000E-02
 C    2.492900       1.381800      0.1876000    
 C    2.177100      -3.355700      0.5130000    
 C    2.854700      -2.151800      0.6789000    
 C   -5.922900      0.5689000      3.4499999E-02
 C   0.1413000      -4.628500     -0.2122000    
 C    3.343300       2.586600      0.4256000    
 C    2.845600      -4.629400      0.9123000    
 C   0.3903000      -5.246800      -1.584400    
 C    1.425200       3.838600     -0.4945000    
 H   -1.857400     -0.3666000      0.6762000    
 H   -1.142500     -0.5128000      -1.810200    
 H   -1.056400       1.209400      -1.806400    
 H   -3.580900       1.327300      -1.230200    
 H   -4.339500       1.518600       1.144200    
 H  -0.7171000      -2.199900     -0.7853000    
 H    3.859600      -2.144200       1.097000    
 H   -6.102900       1.374400     -0.6838000    
 H   -6.155200     -0.3898000     -0.4390000    
 H   -2.198500       1.620500       1.544200    
 H   0.3744000      -5.356600      0.5722000    
 H  -0.9346000      -4.438900     -0.1008000    
 H   -3.265800     -0.6379000      -2.146100    
 H    3.879600      -4.456400       1.232000    
 H    2.323800      -5.091000       1.756800    
 H    2.891800      -5.334700      7.7600002E-02
 H   -5.005300     -0.3966000       2.175100    
 H   7.8299999E-02  -4.567400      -2.385100    
 H  -0.1814000      -6.174500      -1.688200    
 H    1.447500      -5.481600      -1.740400    
 H    3.216200       4.615400      0.1752000    
 H   -6.650100       1.582000       1.535200    


%chk=000098021-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098021

0 1
O -1.818349 1.513294 1.018252
O -3.420973 -1.050082 -1.104149
O -4.030972 0.159069 1.779918
O -6.744945 0.328930 1.243448
O 4.593615 2.629420 1.033346
O 1.291095 5.053456 -1.176540
N 0.509310 0.461201 -0.542942
N 3.098836 0.214769 0.617118
N 0.862647 2.764469 -0.883782
N 2.887071 3.793552 -0.050505
C -1.929265 0.416507 0.064269
C -0.878471 0.641857 -1.036384
C -3.341888 0.329414 -0.577263
C 0.990991 -0.810572 -0.195446
C -4.439816 0.669321 0.457536
C 1.320541 1.604716 -0.413984
C 2.305217 -0.904721 0.388149
C 0.249522 -2.002642 -0.400609
C 0.775402 -3.261118 -0.044187
C 2.628360 1.398623 0.231155
C 2.082891 -3.360575 0.555234
C 2.815045 -2.181303 0.754073
C -5.820664 0.085355 0.116018
C -0.050812 -4.503320 -0.341918
C 3.473558 2.621715 0.457496
C 2.659543 -4.698392 0.982483
C 0.277185 -5.105004 -1.738093
C 1.633559 3.921521 -0.740419
H -1.779552 -0.554611 0.575957
H -1.065737 -0.050916 -1.875337
H -0.936085 1.685846 -1.388042
H -3.436920 1.061159 -1.409732
H -4.506196 1.778390 0.515846
H -0.751271 -1.966002 -0.841159
H 3.813509 -2.198797 1.202213
H -6.217255 0.500616 -0.833336
H -5.757483 -1.012068 0.047333
H -2.387972 1.254285 1.797362
H 0.120436 -5.274726 0.430993
H -1.126252 -4.248434 -0.308722
H -4.085062 -1.094355 -1.836706
H 3.680826 -4.576145 1.379137
H 2.047127 -5.169213 1.775190
H 2.707579 -5.416915 0.143464
H -4.857803 0.089141 2.330330
H 0.057647 -4.377274 -2.539651
H -0.326134 -6.012386 -1.920926
H 1.343748 -5.381166 -1.819831
H 3.420584 4.662081 0.065231
H -7.052367 1.270930 1.228314


