%chk=000149393.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149393

0 1
 S    5.649800     -0.1413000      -1.149600    
 O    1.622000      0.5474000       2.580500    
 O    6.940400      0.3967000      -1.537700    
 O    5.501000     -0.8777000      9.0000004E-02
 N  -0.6272000      0.2054000      0.9238000    
 N   -4.370400     -0.3846000     -0.8675000    
 N    4.479200       1.116900      -1.262500    
 C   -1.896600      5.5999998E-03  0.3163000    
 C   -2.717700       1.105500      4.7699999E-02
 C   -2.313600      -1.289400     -7.4999998E-03
 C   -3.963900      0.8608000     -0.5536000    
 C   -3.575700      -1.440400     -0.6065000    
 C   0.6480000      0.4335000      0.3902000    
 C    1.759600      0.6015000       1.225300    
 C   -2.323900       2.417800      0.3624000    
 C   -1.508900      -2.412700      0.2512000    
 C    3.185700      0.8870000     -0.7039000    
 C   0.8200000      0.4947000     -0.9980000    
 C    3.023600      0.8275000      0.6803000    
 C   -4.785900       1.951500     -0.8235000    
 C   -3.996400      -2.727200     -0.9313000    
 C    2.083800      0.7207000      -1.542900    
 C   -3.164400       3.491000      8.2000002E-02
 C   -1.952900      -3.688500     -8.3200000E-02
 C   -4.397900       3.257000     -0.5121000    
 C   -3.199300      -3.845800     -0.6758000    
 C    2.362900     -0.4592000       3.266600    
 C    5.109000      -1.193700      -2.477800    
 C    1.609600     -0.8600000       4.517000    
 H  -0.6645000      0.1702000       1.938300    
 H   -1.368300       2.635700      0.8321000    
 H  -0.5311000      -2.326000      0.7180000    
 H  -1.8700000E-02  0.3683000      -1.677700    
 H    3.878700      0.9786000       1.334800    
 H   -5.757500       1.794200      -1.288700    
 H   -4.969200      -2.876600      -1.396400    
 H    2.198800      0.7637000      -2.622900    
 H   -2.858600       4.503500      0.3271000    
 H   -1.330100      -4.554600      0.1187000    
 H   -5.061500       4.087400     -0.7348000    
 H   -3.555500      -4.837000     -0.9405000    
 H    4.462300       1.617900      -2.161100    
 H    2.505400      -1.343400       2.632800    
 H    3.344900     -5.6499999E-02   3.537400    
 H    5.097800     -0.6189000      -3.405700    
 H    5.820800      -2.017900      -2.563400    
 H    4.118400      -1.588200      -2.246000    
 H    2.156500      -1.625000       5.075000    
 H    1.452000      6.8999999E-03   5.167100    
 H   0.6187000      -1.249800       4.260600    


%chk=000149393-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149393

0 1
S 5.819418 0.323481 -1.099986
O 1.454839 -0.393861 2.408087
O 7.236584 0.991640 -1.552146
O 5.717095 -0.608178 0.241087
N -0.616609 -0.200151 0.812102
N -4.543302 -0.392453 -0.948023
N 4.381193 1.893657 -0.788780
C -1.896210 -0.230916 0.204425
C -2.557954 0.954278 -0.251717
C -2.575445 -1.489690 0.115441
C -3.881399 0.804150 -0.854668
C -3.918929 -1.508208 -0.454352
C 0.573803 0.348816 0.326182
C 1.720208 0.258049 1.193455
C -2.025280 2.281491 -0.090299
C -1.988774 -2.734642 0.535593
C 3.116063 1.370323 -0.483038
C 0.741025 0.923519 -0.963504
C 2.958673 0.777339 0.811613
C -4.558843 1.975194 -1.348489
C -4.627986 -2.758506 -0.526404
C 1.996954 1.398378 -1.373420
C -2.722520 3.392173 -0.557902
C -2.704899 -3.926712 0.446695
C -3.993037 3.238077 -1.212187
C -4.041902 -3.938226 -0.078644
C 2.594458 -0.614391 3.333541
C 5.240890 -0.819939 -2.555031
C 2.067840 -1.431706 4.507946
H -0.486341 -0.754082 1.666257
H -1.067163 2.417876 0.418551
H -0.957255 -2.753233 0.904557
H -0.111721 0.973446 -1.645329
H 3.834224 0.739485 1.462502
H -5.537620 1.821522 -1.812810
H -5.636805 -2.733126 -0.949301
H 2.115842 1.817985 -2.380061
H -2.305148 4.395291 -0.418534
H -2.242694 -4.867031 0.766305
H -4.520478 4.123019 -1.584424
H -4.590713 -4.884359 -0.137498
H 4.407178 2.363653 -1.719161
H 3.399796 -1.144162 2.788109
H 2.976260 0.371885 3.663089
H 5.336722 -0.230561 -3.477217
H 5.928850 -1.676672 -2.533277
H 4.205368 -1.112911 -2.333227
H 2.883713 -1.610281 5.231247
H 1.254235 -0.897708 5.028198
H 1.686996 -2.410522 4.169047


