%chk=000013983.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013983

0 1
 S   -2.601800      -1.177000      -1.936300    
 O    2.964600      -4.110100      0.5006000    
 N    1.393000       1.976200     -0.2598000    
 N    4.248000       2.212100     -0.6495000    
 N   -1.441900      6.2899999E-02  0.6681000    
 C    2.229000       2.741000      0.6735000    
 C    1.979400       1.994300      -1.605500    
 C   2.8000001E-02   2.498200     -0.2813000    
 C    3.660800       2.194800      0.6959000    
 C    3.411600       1.448900      -1.583900    
 C  -0.6581000       2.363900       1.081600    
 C  -0.7362000      0.9345000       1.616400    
 C    5.612200       1.688200     -0.6273000    
 C  -0.7280000      -1.043900      0.1430000    
 C   -2.803100      0.3565000      0.4003000    
 C   -1.167900      -1.705900      -1.020300    
 C   -3.448500     -0.1667000     -0.7376000    
 C   0.4275000      -1.555500      0.7731000    
 C   -3.581900       1.150400       1.270500    
 C  -0.4601000      -2.807700      -1.532800    
 C    1.124400      -2.653900      0.2622000    
 C   -4.800600      0.1218000     -0.9944000    
 C   0.6821000      -3.278600     -0.8939000    
 C   -4.926900       1.429800       1.013000    
 C   -5.535900      0.9178000     -0.1225000    
 C    2.318800      -3.136900      0.9375000    
 C    2.811300      -2.455100       2.209300    
 H    1.862200       2.662600       1.701200    
 H    2.243600       3.806600      0.4076000    
 H    1.977300       3.011200      -2.020600    
 H    1.383200       1.365300      -2.277800    
 H   1.9800000E-02   3.554900     -0.5802000    
 H  -0.5639000       1.962700      -1.033400    
 H    4.259100       2.821300       1.368700    
 H    3.661100       1.177200       1.110200    
 H    3.395600      0.3838000      -1.314900    
 H    3.824400       1.523500      -2.597200    
 H   -1.652700       2.808900      0.9778000    
 H  -0.1734000       2.998200       1.832700    
 H   0.2964000      0.6563000       1.827100    
 H   -1.219900      0.9091000       2.600300    
 H    6.243700       2.288700      3.6699999E-02
 H    6.062000       1.745000      -1.624800    
 H    5.650900      0.6459000     -0.2904000    
 H   0.7592000      -1.146500       1.718300    
 H   -3.178800       1.558100       2.193200    
 H  -0.7926000      -3.311500      -2.438300    
 H   -5.296600     -0.2725000      -1.879100    
 H    1.204600      -4.131900      -1.317000    
 H   -5.495300       2.043000       1.706200    
 H   -6.580200       1.132500     -0.3277000    
 H    3.730700      -2.946400       2.543800    
 H    3.046600      -1.405900       2.011700    
 H    2.068200      -2.554200       3.004600    


%chk=000013983-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013983

0 1
S -2.513801 -0.753269 -2.170258
O 2.866062 -4.216412 0.295674
N 1.456123 2.227990 -0.207876
N 4.325450 2.028796 -0.534437
N -1.424498 0.200349 0.556450
C 2.372651 3.155686 0.497422
C 2.050550 1.791873 -1.496220
C 0.068102 2.734351 -0.334139
C 3.730436 2.475514 0.744506
C 3.406683 1.111641 -1.248510
C -0.734072 2.582400 0.981030
C -0.710547 1.118603 1.478519
C 5.672843 1.455386 -0.361092
C -0.748505 -0.939746 0.023212
C -2.838429 0.343220 0.409710
C -1.171365 -1.531343 -1.202815
C -3.505191 -0.117792 -0.759699
C 0.364844 -1.523567 0.680831
C -3.633665 0.943673 1.425066
C -0.514020 -2.660514 -1.737673
C 1.067303 -2.622191 0.122568
C -4.903142 -0.024101 -0.897427
C 0.613993 -3.198215 -1.093141
C -5.030917 1.074398 1.273134
C -5.677065 0.585512 0.116922
C 2.288713 -3.196923 0.779667
C 2.841046 -2.521278 2.033622
H 1.928318 3.443422 1.468127
H 2.540004 4.090236 -0.094835
H 2.201714 2.652572 -2.194042
H 1.362504 1.072037 -1.976464
H 0.039684 3.802323 -0.663338
H -0.436735 2.140435 -1.118820
H 4.421763 3.191845 1.227427
H 3.577345 1.614620 1.449382
H 3.230656 0.169183 -0.665987
H 3.863938 0.833185 -2.216334
H -1.769382 2.934409 0.815874
H -0.302984 3.220931 1.777679
H 0.350890 0.828552 1.488232
H -1.100650 1.038711 2.512901
H 6.335895 2.197851 0.118681
H 6.099788 1.203116 -1.348273
H 5.681783 0.526133 0.265080
H 0.690655 -1.115560 1.640027
H -3.162115 1.308957 2.341286
H -0.880527 -3.097504 -2.672504
H -5.380765 -0.409883 -1.804423
H 1.158959 -4.053067 -1.504237
H -5.613495 1.550550 2.069324
H -6.761493 0.676756 0.000118
H 3.756960 -3.044800 2.346911
H 3.075211 -1.456658 1.840766
H 2.107494 -2.556494 2.860995


