%chk=000043781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043781

0 1
 S  -0.7656000     -0.8255000      0.3787000    
 O   0.5977000      -1.185300      -1.819100    
 O   -3.975100     -6.5700002E-02   2.034300    
 O   -3.704800       1.394700      0.3196000    
 N    1.737800      3.7799999E-02 -0.1694000    
 N   -4.539700      -1.012300      -1.155100    
 C    3.092100     -0.2384000     -0.5657000    
 C    1.563500       1.114900      0.8145000    
 C    3.757200      -1.292900      0.3259000    
 C    1.378400       2.485000      0.1526000    
 C    2.990300      -2.612900      0.2379000    
 C    3.836600     -0.8316000       1.782900    
 C    2.599400       2.878300     -0.6819000    
 C   0.1267000       2.478200     -0.7255000    
 C   0.6364000     -0.6861000     -0.6965000    
 C   -2.111300     -0.9117000     -0.8229000    
 C   -3.481300     -0.9684000     -0.1443000    
 C   -3.738200      0.2418000      0.7340000    
 H    3.084300     -0.6030000      -1.600100    
 H    3.709600      0.6596000     -0.5537000    
 H    2.440000       1.184300       1.460100    
 H   0.7239000      0.9260000       1.486000    
 H    4.776600      -1.456800     -4.4799998E-02
 H    1.246400       3.232300      0.9450000    
 H    2.017400      -2.569100      0.7357000    
 H    2.840500      -2.918100     -0.8029000    
 H    3.561700      -3.407800      0.7308000    
 H    4.446300      -1.540000       2.356500    
 H    4.325500      0.1441000       1.866300    
 H    2.858500     -0.8025000       2.272500    
 H    2.696000       2.283300      -1.595000    
 H    3.521600       2.814900     -9.6000001E-02
 H    2.500400       3.921800      -1.004100    
 H   0.2207000       1.822400      -1.595800    
 H  -0.7594000       2.191400     -0.1518000    
 H  -5.9099998E-02   3.487300      -1.111600    
 H   -2.041100     -3.1900000E-02  -1.473500    
 H   -1.969700      -1.801100      -1.447400    
 H   -3.559700      -1.873900      0.4693000    
 H   -4.459500     -0.2058000      -1.774300    
 H   -4.408300      -1.830900      -1.748700    
 H   -4.121000      0.7368000       2.579300    


%chk=000043781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043781

0 1
S -0.949372 -0.591892 1.106905
O 0.284371 -1.403617 -1.233972
O -3.556015 1.658055 -0.053003
O -2.937058 0.574411 -2.011288
N 1.562559 0.051842 0.079674
N -4.582625 -1.535790 -0.815014
C 2.761253 -0.182275 -0.782488
C 1.641546 1.057679 1.170146
C 3.720755 -1.313251 -0.305407
C 1.330651 2.536951 0.775960
C 3.039975 -2.700751 -0.258034
C 4.415134 -0.999983 1.042033
C 2.392437 3.162248 -0.161634
C -0.087348 2.729291 0.190870
C 0.428453 -0.676583 -0.215494
C -2.264653 -1.569278 0.157094
C -3.586042 -0.773942 -0.045316
C -3.314170 0.517957 -0.820810
H 2.393133 -0.427469 -1.794323
H 3.322264 0.765844 -0.837035
H 2.664028 1.014359 1.585748
H 0.954050 0.753590 1.980578
H 4.509159 -1.346854 -1.089552
H 1.378759 3.085527 1.742385
H 2.267335 -2.733494 0.531956
H 2.546825 -2.944021 -1.214589
H 3.785676 -3.485854 -0.032221
H 5.183376 -1.763755 1.263252
H 4.915356 -0.012394 1.030198
H 3.688582 -1.015021 1.875883
H 2.330000 2.734870 -1.179237
H 3.420670 3.011934 0.219715
H 2.224068 4.251177 -0.253406
H -0.200424 2.171954 -0.757939
H -0.868110 2.371550 0.883835
H -0.264048 3.800766 -0.021658
H -1.795187 -1.823032 -0.812065
H -2.468415 -2.490976 0.726978
H -4.020053 -0.502599 0.930861
H -4.302215 -1.743801 -1.777686
H -5.015393 -2.318652 -0.321501
H -3.357587 2.468480 -0.598596


