%chk=000063530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063530

0 1
 S    1.986600      -2.566800     -0.5215000    
 O  -0.9788000       2.128400     -0.9196000    
 N   0.2535000      0.3562000      2.3700001E-02
 N  -0.9129000      -1.562900      0.8094000    
 N   -5.821400      0.6547000     -0.7683000    
 C   0.1922000     -0.9184000      0.5921000    
 C    1.488100       1.082900     -9.1100000E-02
 C   -2.177000      0.2646000     -0.2084000    
 C  -0.9164000       1.005200     -0.4250000    
 C   -2.122900     -0.9782000      0.4226000    
 C    1.928300       1.895800      0.9470000    
 C    1.466900      -1.659500      0.9409000    
 C   -3.403000      0.8115000     -0.6055000    
 C    2.233200      0.9574000      -1.258200    
 C   -3.315700      -1.673400      0.6534000    
 C   -4.583600      0.1085000     -0.3703000    
 C    3.129400       2.592800      0.8165000    
 C   -4.540800      -1.132900      0.2598000    
 C    1.142100       2.044100       2.209200    
 C    3.434300       1.654500      -1.388800    
 C    3.882500       2.472200     -0.3515000    
 C    3.481900      -3.339300      0.1444000    
 C    4.153600      -4.197200     -0.9108000    
 H    1.260600      -2.364200       1.753400    
 H    2.256000     -0.9807000       1.268600    
 H   -3.445600       1.781800      -1.094500    
 H    1.889800      0.3312000      -2.077100    
 H   -3.296600      -2.645900       1.139800    
 H    3.493500       3.234200       1.614600    
 H   -5.453700      -1.691800      0.4493000    
 H    1.632700       2.722400       2.916000    
 H   0.1507000       2.458100       1.999600    
 H    1.033000       1.077700       2.711800    
 H    4.019600       1.562000      -2.299000    
 H    4.817500       3.015100     -0.4535000    
 H    4.173100      -2.558800      0.4778000    
 H    3.215200      -3.958600       1.006600    
 H   -5.853400       1.554600      -1.228500    
 H   -6.677700      0.1434000     -0.6003000    
 H    3.496300      -5.004400      -1.251500    
 H    4.455100      -3.602800      -1.780100    
 H    5.056300      -4.658600     -0.4967000    


%chk=000063530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000063530

0 1
S 1.921557 -2.974011 -0.307492
O -0.805903 2.100157 -0.741726
N 0.153245 0.136119 0.128360
N -1.183694 -1.733330 0.866756
N -5.888483 0.950202 -0.772797
C -0.003321 -1.154662 0.698830
C 1.474627 0.737899 -0.029292
C -2.277099 0.262630 -0.126536
C -0.970019 0.928937 -0.286827
C -2.332799 -1.047081 0.449666
C 1.946869 1.658205 0.945618
C 1.221500 -1.914858 1.130503
C -3.453141 0.931792 -0.530819
C 2.237277 0.409645 -1.169513
C -3.607362 -1.662333 0.604214
C -4.716334 0.309920 -0.376787
C 3.234652 2.216922 0.748523
C -4.772763 -1.003717 0.200737
C 1.091314 2.055314 2.131485
C 3.515961 0.982352 -1.347063
C 4.016161 1.885359 -0.381369
C 3.778663 -2.744139 0.030494
C 4.578310 -3.511817 -1.032270
H 0.935015 -2.603296 1.937281
H 2.037470 -1.248672 1.451533
H -3.355059 1.934189 -0.962658
H 1.826386 -0.292624 -1.900368
H -3.644454 -2.663790 1.043686
H 3.620415 2.929414 1.487226
H -5.746820 -1.493094 0.324034
H 1.666239 2.661776 2.851204
H 0.225960 2.653845 1.790384
H 0.686408 1.176267 2.666332
H 4.108458 0.733126 -2.233872
H 5.006146 2.336856 -0.511254
H 3.992810 -1.661580 -0.007809
H 3.990383 -3.126522 1.044044
H -5.859025 1.877598 -1.186273
H -6.792425 0.500120 -0.664296
H 4.341443 -4.590522 -1.011155
H 4.361491 -3.131731 -2.046621
H 5.662439 -3.395968 -0.847812


