%chk=000148645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148645

0 1
 S   0.3761000     -0.7096000       2.280900    
 O   -1.532800       2.368700      0.2280000    
 O    1.407700      -2.522600     -0.3755000    
 N    1.454400     -0.4133000     -0.2777000    
 N    2.003700      -1.550800      0.1040000    
 C   -1.018000      1.2700000E-02  7.3200002E-02
 C    2.419700      0.6506000     -0.5929000    
 C   0.3846000      9.1300003E-02  0.6144000    
 C   -1.450200      -1.395000     -0.2855000    
 C   -2.947100      -1.546300     -0.5561000    
 C   -3.461600     -0.3967000      -1.408400    
 C   -3.217900      0.9389000     -0.7093000    
 C   -1.844000       1.067000     -0.1056000    
 C    3.056400       1.158200      0.7060000    
 C    3.504300      8.5500002E-02  -1.516000    
 C    1.691800       1.804100      -1.292900    
 C  -0.8270000      0.3574000       3.113400    
 H   0.5451000       1.135300      0.8809000    
 H  -0.9170000      -1.692800      -1.197100    
 H   -1.191300      -2.121400      0.4906000    
 H   -3.137900      -2.502100      -1.057100    
 H   -3.492900      -1.570100      0.3958000    
 H   -4.532200     -0.5215000      -1.605600    
 H   -2.954000     -0.4043000      -2.381400    
 H   -3.959100       1.072300      8.8799998E-02
 H   -3.385100       1.740400      -1.439300    
 H    2.388200       1.724300       1.360800    
 H    3.875700       1.848800      0.4654000    
 H    3.506900      0.3524000       1.297500    
 H    4.140100     -0.6621000      -1.027300    
 H    4.176400      0.8837000      -1.854700    
 H    3.071200     -0.3678000      -2.416100    
 H    1.077000       1.442100      -2.125700    
 H    2.418700       2.505900      -1.721200    
 H    1.057600       2.404900     -0.6361000    
 H   -2.305100       2.930300      4.5200001E-02
 H   -1.840100      0.1712000       2.749400    
 H  -0.5679000       1.412000       2.990100    
 H  -0.8120000      0.1290000       4.183000    


%chk=000148645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148645

0 1
S 0.219896 -0.989675 2.417741
O -1.463348 2.162627 0.367303
O 1.132485 -2.588146 0.244646
N 1.439121 -0.380889 -0.060920
N 1.880517 -1.666917 -0.264993
C -1.102685 -0.194933 -0.003781
C 2.364944 0.727741 -0.528251
C 0.214502 -0.045569 0.729607
C -1.567788 -1.560439 -0.493834
C -3.076662 -1.596493 -0.822057
C -3.492494 -0.369165 -1.661164
C -3.243212 0.927818 -0.856303
C -1.895592 0.906371 -0.162467
C 2.974237 1.426851 0.719483
C 3.505809 0.131627 -1.387291
C 1.551501 1.735448 -1.382615
C -0.253163 0.504914 3.480268
H 0.327603 1.006150 1.021744
H -0.980019 -1.856450 -1.386702
H -1.322973 -2.307562 0.281626
H -3.317332 -2.531102 -1.362535
H -3.659843 -1.607243 0.120621
H -4.557844 -0.427832 -1.952709
H -2.895578 -0.344861 -2.593875
H -4.045279 1.062135 -0.099225
H -3.297019 1.807948 -1.534014
H 2.205777 1.927756 1.335019
H 3.695704 2.197298 0.392725
H 3.503783 0.692928 1.351174
H 4.140697 -0.557360 -0.808566
H 4.128347 0.968083 -1.754917
H 3.110802 -0.422839 -2.254558
H 1.141635 1.238530 -2.279608
H 2.220302 2.551310 -1.711667
H 0.715025 2.182113 -0.818920
H -2.098129 2.874714 0.109121
H -1.174288 0.967378 3.093091
H 0.564759 1.243555 3.507285
H -0.431796 0.114778 4.495419


