%chk=000148867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148867

0 1
 S   -6.247200      0.4855000      0.3934000    
 O    5.216300       3.120700      0.6253000    
 O   -7.455100       1.227000      0.7049000    
 O   -6.146600     -0.2765000     -0.8354000    
 N   0.1086000     -0.1933000      -1.321100    
 N    3.619500      -1.364900      0.6458000    
 N   -4.898500       1.540900      0.5756000    
 C    1.298900     -0.5907000     -0.6539000    
 C    2.271200      0.3653000     -0.3429000    
 C    1.488100      -1.934200     -0.3145000    
 C    3.432300     -7.2200000E-02  0.3166000    
 C    2.679800      -2.281700      0.3439000    
 C   -1.138000      0.2381000     -0.8488000    
 C    2.107500       1.722100     -0.6723000    
 C   0.5279000      -2.916000     -0.6150000    
 C    4.404000      0.8748000      0.6290000    
 C    2.874000      -3.617700      0.6845000    
 C    4.244400       2.224000      0.3033000    
 C    3.094000       2.649000     -0.3488000    
 C   -2.156500      0.5750000      -1.747800    
 C   -1.377300      0.3370000      0.5267000    
 C   0.7463000      -4.244700     -0.2638000    
 C   -3.628200       1.101500      9.4400004E-02
 C    1.921800      -4.596000      0.3873000    
 C   -3.397300       1.005300      -1.277900    
 C   -2.618200      0.7671000      0.9966000    
 C   -5.960800     -0.6277000       1.751100    
 C    4.989300       4.482200      0.2641000    
 H   0.1927000     -0.2369000      -2.332500    
 H    1.221800       2.086500      -1.186600    
 H  -0.4001000      -2.676700      -1.127600    
 H    5.312700      0.5603000       1.140200    
 H    3.787100      -3.918200       1.195100    
 H    2.901700       3.677300     -0.6336000    
 H   -1.990500      0.5078000      -2.820300    
 H  -0.6095000      8.3099999E-02   1.252800    
 H   3.8000001E-03  -5.001300     -0.4980000    
 H    2.102300      -5.630100      0.6656000    
 H   -4.169800       1.274200      -1.993600    
 H   -2.787600      0.8367000       2.068100    
 H   -4.853800       2.040800       1.473900    
 H   -5.911600     -5.3500000E-02   2.678200    
 H   -6.799500      -1.326300       1.794400    
 H   -5.034700      -1.178100       1.578200    
 H    5.861700       5.054600      0.5959000    
 H    4.118500       4.896500      0.7835000    
 H    4.921200       4.604300     -0.8223000    


%chk=000148867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148867

0 1
S -6.268596 1.252434 0.551704
O 4.707915 3.194898 0.910036
O -7.326914 2.261492 1.264461
O -6.601748 0.508907 -0.855327
N -0.075508 -0.795645 -1.285818
N 3.753433 -1.466480 0.580867
N -4.566191 2.334242 0.220924
C 1.174479 -0.986464 -0.636713
C 2.021287 0.110920 -0.285865
C 1.627493 -2.323843 -0.399936
C 3.301226 -0.187966 0.360092
C 2.950840 -2.504513 0.191656
C -1.163675 -0.006976 -0.864509
C 1.716912 1.483076 -0.578893
C 0.837934 -3.490221 -0.694221
C 4.155595 0.890986 0.751291
C 3.439566 -3.843239 0.400143
C 3.802536 2.214944 0.485577
C 2.574986 2.513348 -0.207368
C -2.263222 0.174169 -1.757821
C -1.224068 0.583866 0.431834
C 1.342468 -4.769704 -0.472008
C -3.439196 1.538522 -0.088843
C 2.662159 -4.947988 0.068324
C -3.376731 0.936876 -1.383211
C -2.354695 1.321824 0.815094
C -5.852247 -0.156630 1.810788
C 4.400561 4.599544 0.620372
H -0.267727 -1.425995 -2.067832
H 0.795219 1.726889 -1.113977
H -0.186180 -3.374428 -1.067167
H 5.100769 0.654467 1.245224
H 4.439591 -3.943505 0.832661
H 2.312319 3.545732 -0.456068
H -2.225030 -0.271913 -2.759257
H -0.400764 0.439627 1.136787
H 0.727143 -5.647898 -0.695633
H 3.045362 -5.961088 0.231989
H -4.210813 1.094528 -2.072954
H -2.397809 1.752788 1.824012
H -4.477181 2.851160 1.119151
H -5.672938 0.329909 2.779182
H -6.745133 -0.797017 1.822070
H -4.969190 -0.679598 1.418799
H 5.242313 5.165323 1.045155
H 3.457940 4.916980 1.106353
H 4.342112 4.784565 -0.469425


