%chk=000000459.chk
%nprocshared=4
%mem=8GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000459

0 1
 S    1.075000       3.494400      -1.826300    
 S    3.782800       2.381900     -0.3523000    
 P    3.208800      -2.425900     -0.4221000    
 O   0.7296000      0.4152000       1.496400    
 O    2.472500      -1.040600     -1.6300000E-02
 O   -2.613300     -0.2343000      -2.636100    
 O    3.120600      -3.315500      0.9254000    
 O    4.768400      -2.003600     -0.4875000    
 O    2.678000      -3.084600      -1.661800    
 N   -1.008900       1.135100     -0.8397000    
 N   -1.558900      0.8560000       1.825900    
 N   -3.460200     -0.5450000       1.237300    
 N   -3.977300      -1.095400      -1.000400    
 N   -5.269000      -1.895000      0.7954000    
 C  -0.3215000       2.052500      6.9700003E-02
 C  -0.2644000       1.435800       1.484000    
 C    2.062700      0.9103000       1.300300    
 C    1.054500       2.374900     -0.4729000    
 C    2.166000       1.881500      0.1239000    
 C   -2.370200      0.2203000      0.8963000    
 C   -2.063700      0.3555000     -0.4137000    
 C    2.911500     -0.3545000       1.139600    
 C   -2.900400     -0.3456000      -1.446700    
 C   -4.222700      -1.173600      0.2820000    
 H  -0.9232000       2.969600      0.1393000    
 H  -7.4000000E-03   2.194300       2.233800    
 H    2.366900       1.428100       2.219100    
 H  -0.8894000       1.245400      -1.841600    
 H   -1.777100      0.6890000       2.802400    
 H    2.759200      -1.006100       2.007300    
 H    3.978900     -0.1274000       1.067700    
 H   -3.671000     -0.6304000       2.225200    
 H  -0.2480000       3.614300      -2.010500    
 H    3.449200       3.213200      -1.350500    
 H   -5.903400      -2.403600      0.1892000    
 H   -5.440400      -1.941300       1.793800    
 H    3.442500      -4.241800      0.9046000    
 H    5.424500      -2.658900     -0.8073000    


%chk=000000459-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000459

0 1
S 0.939560 3.293997 -2.062488
S 3.806919 3.088456 -0.212987
P 2.546452 -2.026326 -0.533441
O 1.239446 0.390348 1.563786
O 3.365607 -0.494933 -0.293347
O -2.585826 -0.439756 -2.647524
O 0.976487 -1.652670 -0.875872
O 2.527627 -2.680288 1.091958
O 3.325534 -2.970911 -1.537513
N -0.510188 0.410429 -0.895157
N -1.095459 0.300581 1.862105
N -3.068590 -0.991651 1.382750
N -3.794632 -1.449069 -0.876863
N -4.989232 -2.306883 0.949205
C -0.172762 1.612018 -0.052448
C -0.008153 1.158104 1.420197
C 2.457807 1.177546 1.295469
C 1.089849 2.308648 -0.508028
C 2.280411 2.167216 0.144090
C -1.929842 -0.316004 0.923027
C -1.732476 -0.209027 -0.434636
C 3.550567 0.119554 1.017426
C -2.720106 -0.688388 -1.407668
C -3.930440 -1.580194 0.433680
H -1.023957 2.328116 -0.095861
H 0.051736 2.061357 2.066344
H 2.745479 1.741679 2.212397
H -0.613034 0.642381 -1.903275
H -0.944642 -0.150365 2.768185
H 3.512975 -0.636550 1.823325
H 4.542507 0.602553 0.989005
H -3.354802 -0.895171 2.358886
H 0.013257 4.216271 -1.587090
H 3.235207 3.851162 -1.228239
H -5.626451 -2.702924 0.260611
H -4.988279 -2.682864 1.894530
H 0.486623 -0.677480 -0.842134
H 2.956021 -3.574761 1.110495


