%chk=000125194.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125194

0 1
 S   -1.386600       1.509700      -1.795100    
 S   -1.635500       4.019200       1.593000    
 O   -1.923600      -3.003700      0.1952000    
 O  -9.4999997E-03   1.068400      -1.782600    
 O   -1.975400       2.309800      -2.846300    
 N    3.911500     -0.5401000      0.1155000    
 N   -3.767500     -9.1700003E-02  0.7348000    
 N   -2.431400      0.3468000      -1.221300    
 C    3.092600      0.6793000      6.6000000E-02
 C    5.328100     -0.2392000     -0.1340000    
 C    3.562300       1.701800       1.102000    
 C    5.870800      0.7533000      0.8952000    
 C    5.040200       2.031300      0.9253000    
 C    3.420500      -1.525500     -0.8475000    
 C    1.994300      -1.919500     -0.5692000    
 C    1.604400      -2.199200      0.7329000    
 C    1.090300      -1.998200      -1.619200    
 C   0.2832000      -2.565100      0.9902000    
 C  -0.2308000      -2.364000      -1.361800    
 C  -0.6344000      -2.647600     -5.7100002E-02
 C   -3.960900      -2.453600       1.337500    
 C   -4.327900      -1.361800      0.3393000    
 C   -2.414700       1.845600      0.4967000    
 C   -2.910500      0.6048000     -3.5100002E-02
 C   -1.538100       2.469500     -0.3948000    
 C   -2.455900      -2.653700       1.471800    
 C   -2.581100       2.568400       1.647000    
 C   -1.014500       3.654900      2.1500001E-02
 H    2.038800      0.4822000      0.2872000    
 H    3.131000       1.131800     -0.9341000    
 H    5.470200      0.1656000      -1.144800    
 H    5.921000      -1.159500     -6.5399997E-02
 H    2.967400       2.618100       1.013800    
 H    3.393100       1.306400       2.111800    
 H    5.865300      0.2904000       1.890300    
 H    6.913600      0.9959000      0.6616000    
 H    5.380400       2.682600       1.737900    
 H    5.182800       2.582900     -1.2000000E-02
 H    3.517800      -1.140800      -1.871800    
 H    4.025700      -2.439900     -0.7916000    
 H    2.308000      -2.160500       1.559800    
 H    1.392100      -1.780200      -2.639700    
 H   1.8200001E-02  -2.807700       2.015000    
 H  -0.9417000      -2.425200      -2.181200    
 H   -4.422000      -3.390700       1.002600    
 H   -4.379300      -2.216200       2.322900    
 H   -5.418800      -1.263100      0.3058000    
 H   -4.014600      -1.649900     -0.6709000    
 H   -2.262200      -3.474100       2.172500    
 H   -2.009800      -1.734400       1.871300    
 H   -4.053200      0.2602000       1.644600    
 H   -3.189500       2.346400       2.512200    
 H  -0.3236000       4.317900     -0.4794000    


%chk=000125194-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125194

0 1
S -1.198165 1.907249 -1.145103
S -2.737596 4.312716 2.340489
O -1.942491 -2.972287 0.094568
O 0.323547 1.431691 -0.851529
O -1.529861 2.665067 -2.534663
N 4.096076 -0.592566 -0.024584
N -4.142132 -0.062522 0.724723
N -2.446514 0.460624 -0.839769
C 3.465496 0.643145 -0.562350
C 5.574787 -0.479051 0.013218
C 3.841913 1.869400 0.290801
C 6.015483 0.712675 0.888249
C 5.376637 2.028119 0.384457
C 3.648814 -1.809428 -0.747362
C 2.179145 -2.128619 -0.502635
C 1.649776 -2.103857 0.808686
C 1.312119 -2.465389 -1.571790
C 0.290459 -2.393356 1.057213
C -0.048301 -2.751719 -1.346285
C -0.561506 -2.704477 -0.030534
C -4.092242 -2.553666 1.082580
C -4.435246 -1.383730 0.130551
C -2.934433 2.090128 0.932331
C -3.177706 0.786899 0.244654
C -1.891473 2.876365 0.341690
C -2.590338 -2.652255 1.371435
C -3.504447 2.716419 2.028794
C -1.626955 4.082609 0.929567
H 2.368778 0.518530 -0.577387
H 3.791881 0.818561 -1.622796
H 5.999810 -0.346596 -1.019107
H 5.988026 -1.422931 0.419096
H 3.377031 2.771233 -0.150919
H 3.418104 1.738058 1.305649
H 5.695151 0.523543 1.931560
H 7.120756 0.785335 0.882697
H 5.645927 2.869739 1.051563
H 5.781438 2.268898 -0.620909
H 3.825677 -1.729320 -1.851650
H 4.279176 -2.648937 -0.387820
H 2.314096 -1.821526 1.633011
H 1.698118 -2.475084 -2.598460
H -0.086510 -2.371686 2.084917
H -0.730316 -2.977132 -2.171589
H -4.431681 -3.494429 0.610009
H -4.641348 -2.452399 2.041013
H -5.504794 -1.424255 -0.149816
H -3.831227 -1.467439 -0.787432
H -2.380181 -3.447502 2.115684
H -2.205163 -1.688941 1.764136
H -4.686151 0.233510 1.536074
H -4.308916 2.393783 2.688290
H -0.901928 4.854905 0.685084


