%chk=000091750.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000091750

0 1
 S   -2.685800       1.347300       1.467800    
 O   -3.451700      0.9214000       2.622400    
 O   -2.752000       2.709700      0.9766000    
 O   -1.437300      -2.664300     -0.6221000    
 O   -1.690700      -1.786900       1.480700    
 O  -0.2729000       1.425200     -0.4405000    
 O    3.656100       1.276900      -2.742000    
 O    5.745900     -0.4706000       1.137400    
 N   -4.320200      0.7692000     -0.6935000    
 N   -1.049500      0.9026000       1.685400    
 N   -4.673500     -0.1248000      -1.632800    
 N    1.195200      0.5654000       1.159400    
 N    2.421600      0.9282000     -0.8100000    
 N    3.484000      3.9999999E-02   1.162100    
 C   -3.329300      0.3340000      0.1367000    
 C   -3.012500     -0.9329000     -0.2891000    
 C   -3.871400      -1.162400      -1.380600    
 C   -4.991400       2.047800     -0.6552000    
 C   -2.021600      -1.794700      0.2799000    
 C  -2.8600000E-02   1.002000      0.6827000    
 C  -0.4359000      -3.555800     -0.1190000    
 C    2.428200      0.5083000      0.4694000    
 C   7.3799998E-02  -4.416600      -1.255300    
 C    3.613900      0.8602000      -1.437800    
 C    4.643600     -7.9999998E-04  0.4738000    
 C    4.769500      0.3998000     -0.8407000    
 C    2.435200       1.741300      -3.305900    
 C    5.557600     -0.8695000       2.490200    
 H   -3.950200      -2.041400      -2.004800    
 H  -0.7919000      0.5006000       2.595500    
 H   -5.274000       2.278400      0.3743000    
 H   -5.900000       1.991600      -1.262300    
 H   -4.323900       2.804100      -1.073900    
 H    1.233200      0.2408000       2.121700    
 H  -0.8723000      -4.189400      0.6608000    
 H   0.3891000      -2.972500      0.3044000    
 H  -0.7453000      -4.990100      -1.701600    
 H   0.4959000      -3.793600      -2.050700    
 H   0.8423000      -5.111400     -0.9052000    
 H    5.713600      0.3560000      -1.369000    
 H    1.680800      0.9473000      -3.317400    
 H    2.065200       2.622200      -2.770300    
 H    2.632300       2.034300      -4.341400    
 H    5.231700     -2.5100000E-02   3.106800    
 H    4.847300      -1.700200       2.559400    
 H    6.520800      -1.216600       2.876000    


%chk=000091750-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000091750

0 1
S -2.454046 0.573806 1.769727
O -3.125596 -0.473168 2.799751
O -2.731254 2.156388 1.919210
O -2.533710 -3.630186 -0.514524
O -1.361920 -2.441876 1.108565
O -0.279544 1.722950 0.050934
O 3.615856 2.141144 -2.762537
O 6.201371 0.954667 1.073050
N -3.381442 0.846625 -0.949195
N -0.644548 0.236048 1.855979
N -3.681602 0.118785 -2.105812
N 1.525979 0.735270 1.256916
N 2.526730 1.434359 -0.794450
N 3.838809 0.850274 1.170063
C -2.843492 0.032306 0.012760
C -2.781162 -1.284694 -0.496442
C -3.323259 -1.166587 -1.812726
C -3.552307 2.308949 -0.953292
C -2.163813 -2.462073 0.131286
C 0.177029 0.968111 0.945436
C -1.931046 -4.898599 0.012323
C 2.666485 1.033993 0.488950
C -2.497791 -6.033999 -0.831643
C 3.688007 1.706417 -1.459028
C 4.975445 1.117600 0.464495
C 4.966815 1.564792 -0.876463
C 2.258402 2.299674 -3.341796
C 6.204182 0.503837 2.482301
H -3.450096 -1.953089 -2.552146
H -0.529082 -0.792961 1.958915
H -4.276364 2.619582 -0.184375
H -3.914288 2.577895 -1.955366
H -2.582497 2.785829 -0.740841
H 1.739623 0.369224 2.188676
H -2.198691 -4.983814 1.080392
H -0.832008 -4.814979 -0.065749
H -3.597001 -6.075929 -0.749842
H -2.229847 -5.910610 -1.894774
H -2.086521 -6.997526 -0.479995
H 5.883460 1.785080 -1.421272
H 1.767425 1.317064 -3.438299
H 1.637111 2.946993 -2.702223
H 2.439787 2.752854 -4.326835
H 5.666412 1.224314 3.121061
H 5.728891 -0.487264 2.573592
H 7.270009 0.457524 2.747542


