%chk=000090366.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090366

0 1
 S    2.911500     -0.3072000      -1.476500    
 O   -6.694600       3.147800      -1.712200    
 O    9.063600     -0.2067000      0.1027000    
 O    8.301600     -0.6302000      -1.912100    
 N   -5.389700      0.4499000      0.4126000    
 N   0.1749000      0.3662000       1.024300    
 N    2.817900      0.2616000       1.037500    
 N   0.7229000      9.9299997E-02 -7.0600003E-02
 N    8.113700     -0.3497000     -0.7040000    
 N   -7.721400      -3.727300     -0.4042000    
 C   -6.071800       1.682800      7.3100001E-02
 C   -6.167700     -0.7576000      0.6054000    
 C   -3.987700      0.4285000      0.5667000    
 C   -6.000200       1.941500      -1.423300    
 C   -6.305100      -1.530500     -0.7021000    
 C   -3.341300     -0.7599000      0.9067000    
 C   -3.247700       1.595900      0.3789000    
 C   -1.954900     -0.7809000       1.059200    
 C   -1.861300       1.574900      0.5313000    
 C   -1.222100      0.3865000      0.8706000    
 C    4.410900     -0.1809000     -0.6346000    
 C    4.158400      0.1310000      0.7047000    
 C    5.716700     -0.3456000      -1.124100    
 C   -7.096900      -2.758200     -0.5343000    
 C    6.782400     -0.1895000     -0.2340000    
 C    5.253400      0.2835000       1.583000    
 C    2.078500      5.3800002E-02 -2.6900001E-02
 C    6.556000      0.1211000       1.102200    
 H   -7.132900       1.618000      0.3509000    
 H   -5.718900       2.540500      0.6588000    
 H   -7.178000     -0.4822000      0.9406000    
 H   -5.805300      -1.385200       1.427800    
 H   -4.976600       2.037400      -1.795700    
 H   -6.483400       1.147000      -1.995700    
 H   -6.793500     -0.9131000      -1.461600    
 H   -5.317700      -1.790500      -1.100300    
 H   -3.852300      -1.705400       1.047500    
 H   -3.688800       2.550600      0.1151000    
 H   -1.457900      -1.711300       1.320800    
 H   -1.291600       2.488600      0.3843000    
 H    5.866600     -0.5876000      -2.172400    
 H    5.087300      0.5260000       2.628900    
 H   -6.240800       3.867000      -1.240500    
 H    7.371800      0.2470000       1.810300    


%chk=000090366-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090366

0 1
S 3.176454 -1.906861 0.029411
O -7.419523 3.474696 -0.464262
O 9.359322 0.064591 0.078223
O 8.671725 -2.103439 -0.109889
N -5.485677 0.326670 0.466882
N 0.176100 0.663603 0.365128
N 3.014600 0.792694 0.284560
N 0.868556 -0.459101 0.216229
N 8.435875 -0.837811 0.013563
N -7.514912 -3.769117 -1.383014
C -6.299004 1.552241 0.626752
C -6.201485 -0.950642 0.304391
C -4.089145 0.382089 0.420532
C -6.511951 2.347256 -0.690532
C -6.316251 -1.397707 -1.192054
C -3.300261 -0.813086 0.257458
C -3.388155 1.628528 0.549311
C -1.906718 -0.764727 0.237831
C -1.991496 1.669986 0.530173
C -1.218856 0.482285 0.372751
C 4.686225 -0.926829 0.087564
C 4.369586 0.477358 0.224133
C 6.012937 -1.376362 0.017137
C -6.975768 -2.706886 -1.314368
C 7.025458 -0.394708 0.085430
C 5.422722 1.429145 0.288004
C 2.250847 -0.291481 0.202897
C 6.752183 0.994299 0.218975
H -7.293360 1.268611 1.012277
H -5.841455 2.208307 1.391895
H -7.216613 -0.837471 0.719586
H -5.706342 -1.746712 0.887990
H -5.542652 2.673241 -1.119169
H -7.026848 1.720577 -1.437181
H -6.892476 -0.649509 -1.766686
H -5.310374 -1.453708 -1.647458
H -3.785140 -1.788008 0.156913
H -3.936207 2.565952 0.668639
H -1.314883 -1.677424 0.119235
H -1.453813 2.618148 0.632094
H 6.289172 -2.428198 -0.086230
H 5.170972 2.487885 0.391125
H -6.945287 4.204578 0.007449
H 7.589916 1.693947 0.265102


