%chk=000117895.chk
%nprocshared=8
%mem=61GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117895

0 1
 S    6.077100       1.670300     -2.3800001E-02
 O    3.232900       2.465000     -8.8799998E-02
 O   0.7508000       1.989700     -0.1092000    
 O  -0.9643000      -3.767400      5.8699999E-02
 O    1.541700      -3.291200      7.7799998E-02
 O    6.064700       2.405000       1.435300    
 O    7.272300      0.8438000     -7.5999998E-02
 O    5.821200       2.676000      -1.041200    
 O   -7.888300       1.330700     -0.2047000    
 N   -1.796800       1.737900     -0.1347000    
 N    4.115000      -3.029900      0.1035000    
 C  -0.2193000     -0.1564000     -5.0700001E-02
 C    2.296600      0.2340000     -2.8899999E-02
 C  -5.7000001E-03  -1.535600     -1.8000000E-03
 C    2.510200      -1.145200      1.9700000E-02
 C   0.9241000      0.7788000     -6.6100001E-02
 C    1.366800      -2.080300      3.5399999E-02
 C   -1.525200      0.3472000     -8.5299999E-02
 C   -2.610900     -0.5289000     -7.0699997E-02
 C    3.388900       1.109600     -4.2399999E-02
 C    3.816100      -1.648700      5.4200001E-02
 C   -1.098000      -2.411200      1.2500000E-02
 C    4.688700      0.6036000     -7.7999998E-03
 C   -2.397700      -1.905100     -2.2000000E-02
 C    4.901800     -0.7726000      4.0199999E-02
 C   -3.979700     -4.6599999E-02 -0.1056000    
 C   -4.648900      0.2234000       1.085100    
 C   -4.615700      0.1435000      -1.329400    
 C   -5.964200      0.6866000       1.051800    
 C   -5.930900      0.6070000      -1.362700    
 C   -6.605300      0.8785000     -0.1721000    
 C   -8.518200       1.588600       1.049500    
 H   -3.239100      -2.595600     -1.0600000E-02
 H    5.908900      -1.180600      6.9899999E-02
 H   -1.040500       2.407000     -0.1480000    
 H   -2.744500       2.087100     -0.1603000    
 H    5.078500      -3.337200      0.1275000    
 H    3.377000      -3.719200      0.1168000    
 H   -4.161900      7.9200000E-02   2.046700    
 H   -4.103800     -6.3199997E-02  -2.266100    
 H    2.297600       2.712300     -5.7700001E-02
 H  -2.9899999E-02  -4.021500      7.8299999E-02
 H   -6.428300      0.8778000       2.013200    
 H   -6.425100      0.7548000      -2.319000    
 H    6.160900       1.804900       2.211900    
 H   -8.010600       2.389700       1.597400    
 H   -8.616200      0.6751000       1.645900    
 H   -9.532500       1.940800      0.8354000    


%chk=000117895-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117895

0 1
S 6.361999 1.468607 -0.283243
O 3.430884 2.347475 -0.120106
O 1.012258 2.072286 -0.077149
O -0.986162 -3.708538 0.354732
O 1.477819 -3.458022 0.271489
O 5.933857 2.804708 0.888706
O 7.615321 0.668986 0.339462
O 6.423676 2.046180 -1.788989
O -7.934678 1.647325 -0.213557
N -1.574462 1.850581 0.012621
N 4.089629 -3.232769 0.217219
C -0.094051 -0.085294 0.053923
C 2.413074 0.121588 0.001374
C 0.071556 -1.514860 0.152471
C 2.576851 -1.304503 0.087161
C 1.086761 0.742736 -0.007392
C 1.388269 -2.136335 0.169493
C -1.416098 0.490377 0.041261
C -2.581113 -0.386737 0.097317
C 3.551387 0.976597 -0.081550
C 3.900276 -1.876869 0.113842
C -1.083525 -2.348570 0.251191
C 4.834025 0.372216 -0.081435
C -2.384893 -1.765692 0.217687
C 5.030570 -0.998183 0.020533
C -3.965615 0.162590 0.051292
C -4.937562 -0.267779 0.991796
C -4.377799 1.080290 -0.962199
C -6.267657 0.199546 0.948639
C -5.699782 1.548798 -1.022990
C -6.652274 1.115175 -0.063890
C -8.971946 1.217583 0.732279
H -3.242116 -2.444690 0.248073
H 6.051546 -1.396377 0.045439
H -0.708623 2.417555 -0.021471
H -2.505769 2.260899 0.069886
H 5.027246 -3.628177 0.233187
H 3.239311 -3.816689 0.275933
H -4.641754 -0.963430 1.785218
H -3.670468 1.386575 -1.741122
H 2.366165 2.531566 -0.125087
H 0.048272 -3.923111 0.344642
H -6.982889 -0.147078 1.699867
H -6.024247 2.236205 -1.809723
H 4.994184 3.071376 0.603108
H -8.713691 1.507384 1.768824
H -9.135056 0.124328 0.677119
H -9.882407 1.745671 0.415222


