%chk=000072048.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072048

0 1
 S    5.489300       1.941300       1.299400    
 S   -5.484800       1.932700      -1.320500    
 O    4.299900     -0.5419000     -0.6846000    
 O   -4.302000     -0.5368000      0.6846000    
 O    2.843700      -1.509200      0.8190000    
 O   -2.839200      -1.513000     -0.8067000    
 N    1.572100      0.9192000      0.9966000    
 N   -1.577100      0.9149000     -0.9925000    
 C   0.7359000      0.9046000     -0.1925000    
 C  -0.7381000      0.9116000      0.2009000    
 C    2.990600      0.9142000      0.6304000    
 C   -2.988200      0.9115000     -0.6345000    
 C    3.820200       1.423400       1.809900    
 C   -3.813300       1.412500      -1.820800    
 C    3.338600     -0.5239000      0.2859000    
 C   -3.336800     -0.5246000     -0.2821000    
 C    4.743700      -1.840700      -1.089500    
 C   -4.746800      -1.833300       1.096100    
 C    5.800600      -1.688300      -2.162600    
 C   -5.808300      -1.674400       2.163700    
 H   0.9366000      1.3000000E-02 -0.7994000    
 H   0.9470000       1.784600     -0.8140000    
 H  -0.9465000       1.801500      0.8091000    
 H  -0.9454000      2.9200001E-02  0.8188000    
 H    3.142800       1.560600     -0.2438000    
 H   -3.147200       1.562800      0.2349000    
 H    1.356200       1.757100       1.536700    
 H   -1.356200       1.745900      -1.541100    
 H    3.356200       2.305200       2.265600    
 H    3.920700      0.6596000       2.589100    
 H   -3.348600       2.291800      -2.280600    
 H   -3.910400      0.6437000      -2.595300    
 H    5.908300       2.322200       2.515000    
 H   -5.899200       2.305300      -2.540300    
 H    5.165800      -2.367500     -0.2265000    
 H    3.894700      -2.410000      -1.484200    
 H   -3.899200      -2.399400       1.498000    
 H   -5.165000      -2.365900      0.2347000    
 H    5.398500      -1.146900      -3.025300    
 H    6.648100      -1.104600      -1.788200    
 H    6.163500      -2.664500      -2.495700    
 H   -5.410100      -1.127200       3.024600    
 H   -6.654600      -1.093800       1.782000    
 H   -6.172000      -2.648700       2.501800    


%chk=000072048-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072048

0 1
S 5.516284 0.499747 -0.457121
S -5.684293 0.290503 -0.347101
O 1.989152 -1.149182 1.291877
O -1.863094 -0.761383 -1.115362
O 3.613202 0.120938 2.383716
O -3.015277 0.526753 -2.681952
N 1.606415 1.765403 0.437948
N -2.083653 2.425330 -0.298890
C 0.361535 1.662666 -0.328701
C -0.794908 2.392752 0.410672
C 2.729095 0.852796 0.169276
C -2.967199 1.244057 -0.302902
C 4.035599 1.624131 -0.090100
C -4.433379 1.716067 -0.365081
C 2.871771 -0.078035 1.390036
C -2.659730 0.312984 -1.494874
C 1.895922 -2.042267 2.491529
C -1.398990 -1.675180 -2.210757
C 0.848439 -3.103848 2.174504
C -0.520940 -2.735098 -1.554725
H 0.099641 0.594721 -0.427095
H 0.444063 2.083808 -1.362746
H -0.490120 3.441859 0.607620
H -0.943739 1.914462 1.395994
H 2.491420 0.227129 -0.709922
H -2.794626 0.678787 0.628659
H 1.860215 2.687823 0.798501
H -2.082294 2.941660 -1.185625
H 3.926160 2.258786 -0.984152
H 4.297879 2.251649 0.778171
H -4.658594 2.320742 0.526168
H -4.614128 2.317953 -1.270331
H 5.709540 0.108333 0.857596
H -5.533564 -0.048976 -1.681808
H 2.896324 -2.472432 2.678750
H 1.619873 -1.418925 3.361181
H -0.853034 -1.068273 -2.956092
H -2.292320 -2.101406 -2.701340
H -0.129779 -2.640070 1.960812
H 1.147973 -3.706253 1.299541
H 0.731867 -3.782356 3.039131
H 0.338169 -2.275256 -1.036096
H -1.097007 -3.320963 -0.817900
H -0.135866 -3.428139 -2.324912


