%chk=000060195.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060195

0 1
 S    3.093500      0.1172000     -0.5796000    
 O   -1.997900     -0.8051000      0.1430000    
 O   -2.696700       1.609900      -1.041900    
 N   -7.173900       1.164900      0.6625000    
 C   0.6327000      -1.957900     -0.1888000    
 C  -0.6561000      -2.600900     -0.6989000    
 C    1.822600      -2.315700      -1.085700    
 C   -1.853400      -2.218400      0.1598000    
 C    3.143300      -1.698300     -0.6276000    
 C   -3.271100     -0.3119000      0.2651000    
 C   -3.613900      0.8971000     -0.3301000    
 C    4.748600      0.5016000     -1.9300001E-02
 C   -4.211200      -1.035700      0.9906000    
 C   -4.912800       1.388500     -0.1983000    
 C   -5.860800      0.6677000      0.5282000    
 C   -5.510000     -0.5443000       1.122700    
 C    5.766400      0.6908000     -0.9491000    
 C    5.008600      0.6097000       1.343500    
 C    7.056500      0.9909000     -0.5119000    
 C    6.298700      0.9101000       1.780600    
 C    7.322700       1.100800      0.8528000    
 C   -3.135800       2.838800      -1.617400    
 H   0.4991000     -0.8723000     -0.1522000    
 H   0.8323000      -2.294200      0.8360000    
 H  -0.5509000      -3.691700     -0.7148000    
 H  -0.8337000      -2.269000      -1.729400    
 H    1.612900      -2.005400      -2.117500    
 H    1.940100      -3.406300      -1.107800    
 H   -1.702900      -2.556500       1.191600    
 H   -2.727500      -2.727300     -0.2663000    
 H    3.395600      -2.070100      0.3716000    
 H    3.941700      -2.010300      -1.309300    
 H   -3.973100      -1.967000       1.495300    
 H   -5.243600       2.324000     -0.6376000    
 H   -6.238200      -1.111400       1.697100    
 H    5.577000      0.6088000      -2.016400    
 H    4.222800      0.4638000       2.080300    
 H    7.854000       1.139200      -1.234200    
 H    6.506100      0.9954000       2.843200    
 H    8.327200       1.334600       1.193100    
 H   -7.861400      0.6415000       1.187900    
 H   -7.430500       2.042700      0.2310000    
 H   -2.279300       3.270800      -2.145600    
 H   -3.920400       2.677400      -2.364500    
 H   -3.432000       3.561500     -0.8495000    


%chk=000060195-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060195

0 1
S 2.997567 0.164621 -0.347148
O -2.272253 -1.079647 -0.631147
O -2.692628 1.493309 -1.122072
N -7.057883 1.362483 1.175930
C 0.525503 -2.054224 -0.298185
C -0.638940 -2.820771 -0.962452
C 1.884159 -2.376700 -0.960607
C -2.006240 -2.497963 -0.352925
C 3.097386 -1.745597 -0.259923
C -3.482146 -0.547805 -0.147554
C -3.710471 0.839418 -0.413165
C 4.742015 0.590151 0.082847
C -4.464538 -1.268077 0.561853
C -4.896034 1.462767 0.028646
C -5.884664 0.725743 0.744809
C -5.654955 -0.646950 1.006477
C 5.810357 0.221873 -0.771174
C 5.001323 1.343413 1.252504
C 7.135080 0.590198 -0.444399
C 6.327119 1.725651 1.566641
C 7.396867 1.345325 0.723793
C -2.875518 2.916263 -1.401334
H 0.317592 -0.969996 -0.355779
H 0.571927 -2.313666 0.780481
H -0.471047 -3.914388 -0.872823
H -0.673013 -2.584698 -2.043943
H 1.865529 -2.058711 -2.022035
H 2.036193 -3.477424 -0.961365
H -2.002989 -2.672265 0.745429
H -2.802337 -3.124835 -0.808692
H 3.143639 -2.025676 0.806807
H 4.041134 -2.036210 -0.751623
H -4.315119 -2.329746 0.779686
H -5.067480 2.524719 -0.176599
H -6.400417 -1.233223 1.556058
H 5.603127 -0.331863 -1.693980
H 4.170322 1.621072 1.909120
H 7.957659 0.301394 -1.108488
H 6.521449 2.311820 2.471947
H 8.423548 1.637415 0.971359
H -7.767151 0.846862 1.686624
H -7.219498 2.345924 0.985567
H -1.971097 3.217088 -1.950413
H -3.770700 3.095062 -2.030134
H -2.957073 3.505861 -0.466419


