%chk=000150096.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150096

0 1
 S   -5.907300       1.252500      0.8405000    
 O    5.142200       3.763100      0.8026000    
 O   -7.214600       1.126500       1.457300    
 O   -4.828100       1.928800       1.532500    
 N  -7.6099999E-02 -0.9584000      -1.376900    
 N    3.553200      -1.003400      0.7192000    
 N   -5.409700     -0.3040000      0.2965000    
 N    3.541900       4.976400     -0.3044000    
 C    1.154500     -0.9736000     -0.6660000    
 C    1.854900      0.2205000     -0.4669000    
 C    1.654700      -2.182600     -0.1720000    
 C    3.067000      0.1583000      0.2412000    
 C    2.874500      -2.150700      0.5246000    
 C    1.375800       1.449700     -0.9526000    
 C   -1.403900     -0.7959000     -0.9602000    
 C    3.769000       1.343800      0.4428000    
 C   0.9719000      -3.397300     -0.3577000    
 C    3.295700       2.567000     -3.8300000E-02
 C    3.377700      -3.351100       1.019000    
 C    2.096700       2.620600     -0.7376000    
 C   -2.446200     -0.8230000      -1.894000    
 C   -1.701600     -0.6042000      0.3939000    
 C    1.496400      -4.583600      0.1465000    
 C   -4.056700     -0.4696000     -0.1282000    
 C    2.701800      -4.560100      0.8362000    
 C   -3.768100     -0.6602000      -1.479400    
 C   -3.023400     -0.4417000      0.8085000    
 C    4.057800       3.783800      0.1943000    
 C   -6.150100       2.068400     -0.7215000    
 H   4.6599999E-02  -1.093700      -2.376100    
 H   0.4442000       1.525200      -1.507400    
 H    4.708900       1.301100      0.9915000    
 H   2.9500000E-02  -3.452200     -0.8963000    
 H    4.320600      -3.358900       1.562900    
 H    1.667000       3.528700      -1.141700    
 H   -2.236700     -0.9701000      -2.950700    
 H  -0.9174000     -0.5805000       1.146100    
 H   0.9679000      -5.520600      7.9999998E-04
 H    3.120100      -5.480300       1.233500    
 H   -4.565000     -0.6826000      -2.218200    
 H   -3.233300     -0.3071000       1.866500    
 H   -6.094300     -0.8009000     -0.2892000    
 H   -5.193900       2.146400      -1.241200    
 H   -6.540300       3.068600     -0.5200000    
 H   -6.874300       1.502300      -1.310200    
 H    2.672900       5.082100     -0.8118000    
 H    4.058200       5.838800     -0.1614000    


%chk=000150096-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150096

0 1
S -5.376720 2.434094 0.278633
O 4.451714 3.998119 0.652840
O -6.677667 3.020015 1.062451
O -3.865588 2.941787 0.642331
N -0.268460 -1.719279 -1.070023
N 3.708922 -1.027842 0.437855
N -5.311711 0.299578 0.541533
N 2.307518 4.879633 0.634749
C 1.019497 -1.457192 -0.534605
C 1.511172 -0.127317 -0.335028
C 1.882077 -2.568981 -0.264479
C 2.865303 0.025374 0.194950
C 3.240235 -2.291015 0.192969
C 0.781073 1.063597 -0.677122
C -1.511280 -1.200490 -0.663218
C 3.370407 1.345156 0.451678
C 1.471217 -3.940909 -0.401194
C 2.607919 2.479084 0.179045
C 4.136981 -3.392342 0.426877
C 1.307015 2.324548 -0.423143
C -2.650573 -1.434814 -1.493448
C -1.678765 -0.484007 0.559540
C 2.365443 -4.981772 -0.158090
C -4.083486 -0.208586 0.091289
C 3.716080 -4.705762 0.245858
C -3.906332 -0.930035 -1.134096
C -2.938427 0.002379 0.924905
C 3.204027 3.828802 0.500324
C -5.620692 2.847963 -1.598322
H -0.310081 -2.470945 -1.762649
H -0.199923 0.980548 -1.150688
H 4.379417 1.446357 0.861254
H 0.433281 -4.177893 -0.661542
H 5.150212 -3.144436 0.756812
H 0.731663 3.206024 -0.727822
H -2.531922 -1.994481 -2.429552
H -0.823085 -0.326693 1.221230
H 2.034400 -6.021115 -0.258278
H 4.405578 -5.536872 0.428187
H -4.769596 -1.102146 -1.790284
H -3.077792 0.542855 1.864679
H -6.111917 0.007133 -0.060239
H -4.829775 2.313866 -2.143180
H -5.508718 3.938930 -1.670245
H -6.633612 2.516597 -1.865627
H 1.297854 4.749623 0.642859
H 2.687717 5.799164 0.857025


