%chk=000036991.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036991

0 1
 S   -4.258600      -1.851800      0.5222000    
 O    2.377800      -2.482300     -0.5495000    
 O    6.586400       1.894700      0.7388000    
 N  -0.3283000      -1.574600     -0.5170000    
 C   0.7735000     -0.7057000     -8.4500000E-02
 C    2.072400      -1.110900     -0.8172000    
 C   -1.541300      -1.263400      0.2188000    
 C   0.3695000      0.7433000     -0.3633000    
 C    3.283300     -0.3041000     -0.3997000    
 C   -2.676100      -2.137700     -0.3293000    
 C   -1.270800      -1.490400       1.706400    
 C    3.999900      0.3848000      -1.362100    
 C    3.646600     -0.2747000      0.9352000    
 C    5.116200       1.127300     -0.9771000    
 C    4.762800      0.4680000       1.320100    
 C    5.497700       1.169000      0.3639000    
 C   -4.526600     -0.1148000      0.1901000    
 C   -4.628500      0.3301000      -1.124600    
 C   -4.632000      0.7827000       1.248600    
 C   -4.837900       1.684800      -1.383400    
 C   -4.841500       2.137300      0.9899000    
 C   -4.944400       2.588300     -0.3261000    
 H   0.9710000     -0.8384000      0.9814000    
 H    1.924500      -1.025200      -1.901700    
 H   -1.847300     -0.2273000      5.9400000E-02
 H  -0.4863000      -1.459500      -1.518000    
 H    1.228100       1.417400     -0.2742000    
 H  -2.6600000E-02  0.8723000      -1.377500    
 H  -0.3633000       1.126300      0.3538000    
 H   -2.431500      -3.199100     -0.2020000    
 H   -2.815000      -1.971900      -1.403700    
 H  -0.6672000     -0.6935000       2.152400    
 H  -0.7740000      -2.451100       1.887900    
 H   -2.190400      -1.498500       2.298700    
 H    3.712400      0.3605000      -2.409100    
 H    3.097700     -0.8253000       1.692700    
 H    1.595200      -3.005700     -0.7926000    
 H    5.680100       1.669400      -1.731700    
 H    5.057000      0.4941000       2.365800    
 H   -4.556900     -0.3567000      -1.963700    
 H   -4.552800      0.4488000       2.280100    
 H   -4.919600       2.035900      -2.407900    
 H   -4.924000       2.841100       1.813000    
 H    6.972600       2.313500     -4.9500000E-02
 H   -5.107700       3.643000     -0.5275000    


%chk=000036991-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000036991

0 1
S -4.167894 -1.817517 0.889760
O 2.020703 -2.318885 -0.689240
O 7.053783 1.208575 1.120769
N -0.306401 -1.091552 -0.530706
C 0.869395 -0.195733 -0.292437
C 2.110339 -0.889595 -0.972921
C -1.406226 -1.089950 0.486255
C 0.650835 1.251201 -0.775774
C 3.433677 -0.342840 -0.463425
C -2.549623 -1.952035 -0.094222
C -0.917088 -1.649943 1.836024
C 4.123329 0.675362 -1.161891
C 3.988712 -0.830486 0.748248
C 5.328398 1.217288 -0.660163
C 5.189948 -0.305045 1.260378
C 5.856707 0.725268 0.556669
C -4.764876 -0.173692 0.285177
C -5.235846 -0.030306 -1.042237
C -4.796779 0.927163 1.173332
C -5.719960 1.221746 -1.485695
C -5.296871 2.174411 0.729212
C -5.752579 2.325740 -0.600803
H 1.063634 -0.199307 0.794994
H 2.036583 -0.708176 -2.071825
H -1.803733 -0.060033 0.646682
H -0.691970 -0.920107 -1.473706
H 1.529966 1.879913 -0.549239
H 0.485791 1.279919 -1.871097
H -0.229429 1.705178 -0.285034
H -2.284262 -3.023366 -0.075516
H -2.784004 -1.662792 -1.134851
H -0.180216 -0.986050 2.320122
H -0.446474 -2.639283 1.690008
H -1.774471 -1.756539 2.523698
H 3.725712 1.046504 -2.114855
H 3.481832 -1.654438 1.260674
H 1.019576 -2.459157 -0.617495
H 5.853969 2.004251 -1.217257
H 5.631082 -0.681392 2.188310
H -5.241498 -0.895889 -1.714178
H -4.435148 0.805012 2.199533
H -6.084336 1.329290 -2.513427
H -5.324330 3.024331 1.420138
H 7.452188 1.909809 0.547858
H -6.136046 3.293150 -0.943545


