%chk=000120858.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120858

0 1
 S   -3.272200       1.738600      0.5578000    
 O  -0.7758000      0.4680000       1.933900    
 N    3.886500     -0.1880000      4.6999999E-03
 C  -0.9294000      0.2810000      0.5181000    
 C   -1.714300      -1.005300      0.2390000    
 C    3.861700      0.9360000      0.9427000    
 C    5.227400     -0.3459000     -0.5620000    
 C    2.901400      2.7999999E-03  -1.052000    
 C   -1.698200       1.511600      4.4999998E-03
 C   0.4426000      0.1807000     -3.3700000E-02
 C    4.890600      0.7258000       2.037000    
 C    5.267200      -1.551300      -1.481500    
 C   -1.904400      -1.388000      -1.067800    
 C   -2.197100      -1.724500       1.306600    
 C    1.550200      0.1021000     -0.4935000    
 C   -1.240800       2.437200     -0.8514000    
 C   -2.619100      -2.558600      -1.321900    
 C   -2.911800      -2.895200       1.052600    
 C   -2.243200       3.421900      -1.087700    
 C   -3.122800      -3.312100     -0.2617000    
 C   -3.398600       3.163300     -0.3835000    
 H    4.048300       1.894000      0.4408000    
 H    2.888800       1.009900       1.441100    
 H    5.557100      0.5505000      -1.102000    
 H    5.966100     -0.5563000      0.2174000    
 H    2.873300     -0.8497000      -1.738300    
 H    3.122700      0.8951000      -1.651500    
 H    4.847200     -0.2860000       2.454900    
 H    5.911700      0.9352000       1.703200    
 H    4.691200       1.421600       2.860400    
 H    4.803500      -2.432300      -1.024200    
 H    4.793400      -1.359100      -2.449100    
 H    6.310000      -1.811300      -1.697500    
 H   -1.521100     -0.8106000      -1.903500    
 H   -2.054300      -1.436700       2.342100    
 H  -0.2622000       2.461500      -1.311800    
 H   -1.613200      0.8024000       2.299100    
 H   -2.784300      -2.882900      -2.345200    
 H   -3.304100      -3.482600       1.877700    
 H   -2.123100       4.276400      -1.741100    
 H   -3.679400      -4.223500     -0.4595000    
 H   -4.310900       3.743000     -0.3769000    


%chk=000120858-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120858

0 1
S -3.619428 1.721528 -0.019576
O -0.853319 0.921276 1.862445
N 3.881814 -0.163504 -0.048967
C -1.006401 0.549638 0.413689
C -1.644548 -0.860588 0.294531
C 3.958808 0.695457 1.168186
C 5.209277 -0.394851 -0.680415
C 2.910434 0.378290 -1.041853
C -1.819749 1.631224 -0.285224
C 0.372421 0.513600 -0.115213
C 4.616364 -0.012492 2.366743
C 5.218495 -1.570693 -1.676713
C -2.234082 -1.287028 -0.921101
C -1.573075 -1.757650 1.386329
C 1.531377 0.455203 -0.526750
C -1.384685 2.713942 -1.031518
C -2.766329 -2.589573 -1.035154
C -2.108878 -3.060043 1.271842
C -2.433645 3.630335 -1.408783
C -2.708428 -3.480007 0.062337
C -3.682801 3.260849 -0.939982
H 4.492642 1.657885 0.952059
H 2.921590 0.958003 1.443602
H 5.588706 0.533293 -1.185408
H 5.920874 -0.625410 0.131262
H 2.913033 -0.286698 -1.925245
H 3.218481 1.395878 -1.406111
H 4.095035 -0.963189 2.573277
H 5.686194 -0.233095 2.199041
H 4.547953 0.628173 3.265207
H 4.813309 -2.476259 -1.192781
H 4.620176 -1.367725 -2.583355
H 6.252534 -1.779754 -2.007785
H -2.278583 -0.601065 -1.774481
H -1.093867 -1.424276 2.311877
H -0.333369 2.846173 -1.296175
H -1.757690 1.166193 2.198097
H -3.225444 -2.909288 -1.977424
H -2.053447 -3.747177 2.123756
H -2.263888 4.529665 -2.005636
H -3.122920 -4.490621 -0.026217
H -4.644340 3.753080 -1.076115


