%chk=000226972.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226972

0 1
 S   0.5833000       1.795200      0.2245000    
 O   0.3690000       2.891800     -0.7001000    
 O   0.8164000       2.055900       1.632100    
 N    1.831700      0.7957000     -0.3667000    
 N    2.034700     -0.4542000      0.3436000    
 N   -4.141500      -1.787100     -0.2210000    
 C  -0.8214000      0.7297000      9.2100002E-02
 C   -1.154600     -8.4799998E-02   1.160300    
 C   -1.561500      0.7305000      -1.077300    
 C   -3.020500     -0.9378000     -0.1153000    
 C   -2.262900     -0.9253000       1.055700    
 C   -2.669900     -0.1099000      -1.181800    
 C    2.968000      -1.229600     -0.1151000    
 C    3.184600      -2.554700      0.5704000    
 C    3.844700     -0.9155000      -1.301400    
 H  -0.5743000     -9.3099996E-02   2.077800    
 H   -1.300400       1.361100      -1.921400    
 H   -2.525200      -1.566700       1.893200    
 H   -3.251500     -0.1119000      -2.100200    
 H    2.050900      0.8191000      -1.369400    
 H    4.208500      -2.601900      0.9507000    
 H    3.029600      -3.362800     -0.1496000    
 H    2.487700      -2.679400       1.403700    
 H    3.250500     -0.9700000      -2.217600    
 H    4.661100      -1.639800      -1.370600    
 H    4.278700      8.2599998E-02  -1.198600    
 H   -4.690700      -1.797000      -1.070100    
 H   -4.395900      -2.388200      0.5515000    


%chk=000226972-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226972

0 1
S 0.552178 1.892769 0.211236
O 0.464229 2.963110 -1.016541
O 0.728759 2.332405 1.756945
N 2.135785 0.910015 -0.267929
N 2.136594 -0.371192 0.255169
N -4.174015 -1.876697 -0.154754
C -0.890050 0.716141 0.095905
C -1.207737 -0.078711 1.213689
C -1.629626 0.678816 -1.100974
C -3.085010 -1.017666 -0.072286
C -2.309067 -0.946130 1.126160
C -2.731685 -0.188847 -1.181970
C 3.019877 -1.245830 -0.185564
C 3.028170 -2.611303 0.459066
C 4.030492 -0.922773 -1.271679
H -0.613711 -0.003748 2.129128
H -1.361795 1.337853 -1.933641
H -2.576791 -1.572949 1.984525
H -3.329830 -0.224506 -2.099811
H 2.237357 1.050517 -1.296033
H 4.006044 -2.814868 0.937721
H 2.865923 -3.406829 -0.294376
H 2.238281 -2.677196 1.223728
H 3.539228 -0.743979 -2.251460
H 4.749825 -1.745771 -1.406317
H 4.587737 0.000640 -1.018116
H -4.740621 -1.923280 -0.996879
H -4.441441 -2.458090 0.634457


