%chk=000148641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148641

0 1
 S   -6.015100     -0.4843000      0.3401000    
 O   -7.365200     -7.9400003E-02  0.6847000    
 O   -5.733400      -1.091400     -0.9456000    
 N   0.3248000      0.5114000      -1.276800    
 N    4.006900      3.7799999E-02  0.6686000    
 N   -4.956200      0.8402000      0.6407000    
 C    1.573200      0.3508000     -0.6171000    
 C    2.075500     -0.9340000     -0.3870000    
 C    2.289100       1.479000     -0.2037000    
 C    3.313400      -1.045400      0.2684000    
 C    3.518600       1.273100      0.4446000    
 C    1.377400      -2.085100     -0.7915000    
 C    3.818600      -2.322000      0.5004000    
 C  -0.9902000      0.5925000     -0.8000000    
 C    3.127500      -3.468100      9.9900000E-02
 C    1.808200       2.781900     -0.4218000    
 C    1.904400      -3.349900     -0.5475000    
 C    4.235900       2.392300      0.8586000    
 C   -2.056500      0.7554000      -1.691400    
 C   -1.250000      0.5127000      0.5729000    
 C    2.544600       3.884000      2.0000001E-03
 C   -3.616700      0.7571000      0.1535000    
 C    3.761000       3.688400      0.6435000    
 C   -3.365400      0.8375000      -1.216300    
 C   -2.558800      0.5948000       1.048200    
 C    3.703700      -4.817600      0.3665000    
 C   -5.475400      -1.611700       1.605900    
 H   0.4200000      0.5749000      -2.286100    
 H   0.4210000      -2.028400      -1.304700    
 H    4.777900      -2.428000       1.005500    
 H   0.8634000       2.970800     -0.9245000    
 H    1.354300      -4.229900     -0.8688000    
 H    5.191800       2.265300       1.363600    
 H   -1.876100      0.8226000      -2.761500    
 H  -0.4458000      0.3860000       1.293000    
 H    2.171800       4.889200     -0.1686000    
 H    4.343800       4.541600      0.9780000    
 H   -4.177600      0.9769000      -1.924900    
 H   -2.742800      0.5296000       2.117500    
 H    2.919600      -5.579400      0.4334000    
 H    4.393400      -5.096700     -0.4363000    
 H    4.245700      -4.831700       1.318200    
 H   -5.033700       1.256800       1.578300    
 H   -5.566200      -1.124800       2.578700    
 H   -6.124200      -2.489900       1.571400    
 H   -4.444600      -1.910100       1.408800    


%chk=000148641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148641

0 1
S -6.356225 0.230002 0.458928
O -7.671054 0.894595 1.148730
O -6.414426 -0.472503 -1.006651
N 0.197611 -0.100975 -1.224768
N 4.013312 -0.044667 0.778497
N -4.957523 1.717004 0.305125
C 1.435471 -0.057417 -0.528486
C 2.189593 -1.265547 -0.394575
C 1.983314 1.167874 -0.028889
C 3.496624 -1.198280 0.249770
C 3.275587 1.104604 0.651025
C 1.719905 -2.550212 -0.841671
C 4.283726 -2.397634 0.360819
C -1.060927 0.361693 -0.794319
C 3.825023 -3.626081 -0.111848
C 1.364204 2.453972 -0.209146
C 2.511294 -3.686132 -0.708901
C 3.838200 2.315833 1.189296
C -2.143220 0.363729 -1.726129
C -1.301719 0.791816 0.543781
C 1.950842 3.606556 0.306863
C -3.663559 1.243297 -0.010136
C 3.190943 3.536568 1.029567
C -3.418263 0.801381 -1.346601
C -2.587565 1.201628 0.928527
C 4.654262 -4.890517 0.000457
C -5.674454 -1.121690 1.664964
H 0.187631 -0.671288 -2.073588
H 0.712468 -2.645774 -1.262732
H 5.262928 -2.298645 0.840240
H 0.426524 2.526188 -0.766842
H 2.130505 -4.656592 -1.050252
H 4.797275 2.227856 1.708593
H -1.967805 0.038602 -2.759023
H -0.489990 0.780952 1.276262
H 1.468749 4.578200 0.154150
H 3.631379 4.452803 1.437585
H -4.243768 0.823552 -2.063608
H -2.763624 1.512896 1.966609
H 4.120537 -5.668088 0.579366
H 4.864146 -5.319273 -0.998018
H 5.619887 -4.699833 0.497303
H -5.022283 2.154945 1.246494
H -5.676065 -0.677323 2.669603
H -6.379112 -1.960183 1.576322
H -4.668761 -1.383094 1.308105


