%chk=000026115.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026115

0 1
 S   -2.109200       3.388000       1.473900    
 O    1.904200       1.527400      -2.703500    
 O   -2.617100      -1.175000       1.164000    
 N    2.045300     -0.6807000       2.312800    
 N   -1.413600      -2.016900     -0.6328000    
 N   -3.856400     -0.4074000      -1.681800    
 C    1.240500      -1.994600      0.7479000    
 C   0.6518000      -3.190700      5.6800000E-02
 C    1.583500     -0.7755000      0.1322000    
 C  -0.8756000      -3.182400      3.1399999E-02
 C    2.091800      4.3400001E-02   1.142800    
 C   -2.670700      2.5500000E-02 -0.9451000    
 C    1.526700      -1.925700       2.077200    
 C   -2.917300       1.341700     -0.1873000    
 C   -2.247600      -1.100900     -6.3000000E-03
 C    1.519100     -0.2704000      -1.181700    
 C    2.540600       1.347300      0.9043000    
 C   -1.708800       1.839200      0.6104000    
 C    1.964300       1.032000      -1.435100    
 C    2.466800       1.826800     -0.4067000    
 C  -0.4985000       3.683600       2.237800    
 C    1.380100      0.6653000      -3.711100    
 H   0.9953000      -4.106000      0.5552000    
 H    1.035100      -3.240400     -0.9703000    
 H   -1.237500      -4.057000     -0.5195000    
 H   -1.272400      -3.245400       1.050500    
 H   -1.866100      0.2035000      -1.669300    
 H    1.413500      -2.636400       2.883800    
 H   -3.216000       2.110500     -0.9131000    
 H   -3.767200       1.207700      0.4966000    
 H   -1.202000      -1.901100      -1.619400    
 H    2.349900     -0.3413000       3.214700    
 H    1.123000     -0.9298000      -1.943700    
 H    2.930300       1.967300       1.704600    
 H  -0.8706000       2.020400     -6.9700003E-02
 H   -1.396100       1.104100       1.356700    
 H    2.807500       2.837500     -0.6192000    
 H   -3.665400      -1.286400      -2.160800    
 H   -4.622400     -0.5878000      -1.034200    
 H   0.2682000       3.815200       1.470000    
 H  -0.2263000       2.850700       2.891400    
 H  -0.5466000       4.595300       2.839100    
 H   0.3321000      0.4106000      -3.518800    
 H    2.006200     -0.2231000      -3.847800    
 H    1.404400       1.219800      -4.655000    


%chk=000026115-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026115

0 1
S -1.710463 2.566927 2.153804
O 4.473006 1.233719 -2.451097
O -2.802193 -2.228554 1.578883
N 0.997383 0.041250 1.761104
N -2.224355 -1.947863 -0.662082
N -5.356680 -0.953217 0.700515
C 0.739386 -1.318368 -0.061434
C 0.243197 -2.389553 -1.004355
C 1.798968 -0.364885 -0.340607
C -1.155031 -2.963241 -0.663395
C 1.929838 0.482967 0.813820
C -4.003594 -0.489894 0.323264
C 0.277981 -1.035472 1.229082
C -3.599950 0.690449 1.247833
C -2.955559 -1.626412 0.465925
C 2.640213 -0.149991 -1.469913
C 2.872932 1.535289 0.864338
C -2.337379 1.428544 0.769403
C 3.576007 0.902876 -1.411641
C 3.692178 1.739056 -0.257868
C -0.509857 3.610522 1.142362
C 4.424472 0.413577 -3.658313
H 0.946549 -3.248857 -1.028848
H 0.230767 -1.988676 -2.040585
H -1.404776 -3.763197 -1.387690
H -1.160620 -3.411907 0.345137
H -4.046423 -0.134760 -0.726770
H -0.517362 -1.514569 1.799888
H -4.455982 1.385532 1.298202
H -3.440129 0.277382 2.263792
H -2.367433 -1.396097 -1.510745
H 0.738052 0.537611 2.613260
H 2.559114 -0.796262 -2.349351
H 2.976309 2.173544 1.748735
H -2.557172 2.065345 -0.106806
H -1.518816 0.731982 0.517360
H 4.442334 2.535147 -0.275962
H -5.742553 -1.650228 0.051500
H -5.367003 -1.314531 1.664031
H -1.056813 4.163969 0.362174
H 0.267470 2.975561 0.687772
H -0.044915 4.324768 1.840247
H 3.432460 0.473408 -4.149853
H 4.660449 -0.646734 -3.437499
H 5.192792 0.831746 -4.325719


