%chk=000132086.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132086

0 1
 S    1.382400       2.424500      0.6021000    
 O    3.765200      0.1787000       1.970600    
 O    2.254600       2.219100     -0.5384000    
 O    1.570100       3.573800       1.466800    
 N    3.836400      -1.004600     -2.7600000E-02
 N    1.357500       1.012400       1.552600    
 N   -4.314800      -2.447700      0.2437000    
 N   -4.278100     -0.6714000      -1.385500    
 N   -6.165000      -1.918200      -1.080100    
 C    3.173300      -1.678400      -1.151100    
 C    5.297800      -1.098400     -3.2200001E-02
 C    3.709900      -1.162900      -2.484700    
 C    5.874400     -0.5711000      -1.343200    
 C    5.233500      -1.261600      -2.546100    
 C    1.681100     -0.2921000      0.9469000    
 C    3.186300     -0.3479000       1.016800    
 C    1.071600      -1.440700       1.736100    
 C  -0.3600000      -1.708700       1.340700    
 C  -0.2821000       2.491100      1.0500000E-02
 C  -0.6254000      -2.608900      0.3206000    
 C   -1.383300      -1.049200       2.002900    
 C   -1.235100       3.171300      0.7485000    
 C  -0.6012000       1.862100      -1.180300    
 C   -1.948200      -2.855700     -4.6500001E-02
 C   -2.706200      -1.296300       1.635800    
 C   -2.988600      -2.199500      0.6111000    
 C   -2.548400       3.223900      0.2813000    
 C   -1.914300       1.914700      -1.647700    
 C   -2.888000       2.595700     -0.9168000    
 C   -4.291700       2.653100      -1.417200    
 C   -4.863700      -1.706900     -0.6896000    
 H    3.402800      -2.746900      -1.050600    
 H    2.088900      -1.605300      -1.141000    
 H    5.727000     -0.5443000      0.8086000    
 H    5.558200      -2.154700      0.1045000    
 H    3.268500      -1.733400      -3.309300    
 H    3.410300     -0.1157000      -2.616100    
 H    6.959300     -0.7212000      -1.361200    
 H    5.693900      0.5090000      -1.411500    
 H    5.531700      -2.317100      -2.564200    
 H    5.598600     -0.8076000      -3.474000    
 H    1.305600     -0.2610000     -7.5099997E-02
 H    1.125500      -1.253200       2.817200    
 H    1.650200      -2.361500       1.579500    
 H    1.485800       1.096100       2.568800    
 H   0.1773000      -3.124500     -0.1984000    
 H   -1.174000     -0.3427000       2.800800    
 H  -0.9929000       3.659500       1.687300    
 H   0.1411000       1.322900      -1.760700    
 H   -2.158000      -3.561300     -0.8462000    
 H   -3.509700     -0.7789000       2.153400    
 H   -3.300300       3.754800      0.8591000    
 H   -2.163100       1.421300      -2.583400    
 H   -4.389700       2.211100      -2.414200    
 H   -4.624600       3.694000      -1.489600    
 H   -4.960000       2.115500     -0.7372000    
 H   -3.315300     -0.3991000      -1.226800    
 H   -4.786100     -0.1732000      -2.108000    
 H   -6.601200      -1.351600      -1.799300    
 H   -6.726900      -2.648500     -0.6566000    


%chk=000132086-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000132086

0 1
S 1.312881 2.099785 -0.024067
O 3.771134 0.010732 2.022177
O 1.956129 1.491917 -1.406381
O 1.912582 3.425056 0.707118
N 4.136261 -1.298456 0.127796
N 1.253279 0.723987 1.278179
N -4.438528 -2.590606 -0.025919
N -5.019926 -0.311574 -0.654727
N -6.576635 -2.066517 -0.800206
C 3.729326 -1.881084 -1.173043
C 5.609418 -1.235445 0.313576
C 4.303136 -1.038526 -2.338366
C 6.247226 -0.388430 -0.813678
C 5.841776 -0.919796 -2.210739
C 1.790339 -0.558281 0.745672
C 3.322694 -0.596963 0.987742
C 1.098649 -1.741438 1.506667
C -0.355572 -1.939459 1.118199
C -0.509764 2.414734 -0.379270
C -0.734034 -2.994771 0.245363
C -1.378084 -1.089719 1.611413
C -1.202687 3.298959 0.463727
C -1.092185 1.794588 -1.492470
C -2.076177 -3.188926 -0.135532
C -2.724007 -1.270145 1.232197
C -3.101064 -2.319306 0.336780
C -2.557624 3.560568 0.171415
C -2.451341 2.073618 -1.765915
C -3.200732 2.953012 -0.941759
C -4.660656 3.249907 -1.237882
C -5.280467 -1.674283 -0.453083
H 4.132473 -2.914020 -1.222331
H 2.633654 -1.954404 -1.239715
H 5.803724 -0.799123 1.305769
H 6.008151 -2.269856 0.290628
H 4.030088 -1.513522 -3.300425
H 3.832818 -0.037052 -2.311511
H 7.347910 -0.399780 -0.698199
H 5.913619 0.660413 -0.698931
H 6.300791 -1.918580 -2.370278
H 6.238783 -0.255623 -3.000898
H 1.540052 -0.615050 -0.325728
H 1.209872 -1.550257 2.590162
H 1.675666 -2.659342 1.281133
H 1.921888 1.061911 2.016914
H 0.033703 -3.684500 -0.130287
H -1.108532 -0.275256 2.292262
H -0.690558 3.783753 1.300923
H -0.497428 1.137329 -2.134357
H -2.363725 -4.016256 -0.792459
H -3.501114 -0.633419 1.673552
H -3.120404 4.251574 0.809855
H -2.923531 1.615105 -2.642620
H -4.967566 2.841236 -2.216443
H -4.852762 4.337853 -1.254843
H -5.320372 2.817518 -0.460939
H -4.083643 0.038316 -0.448928
H -5.570748 0.204980 -1.338422
H -7.348669 -1.405921 -0.744882
H -6.776586 -3.058466 -0.688181


