%chk=000059868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059868

0 1
 S    2.142100      -1.791300     -0.2266000    
 N   -2.452300      0.7929000     -0.2533000    
 N    3.162500      0.5535000      0.1946000    
 N    4.722700      -1.222100      9.4400004E-02
 C   -1.063100      0.7483000      0.1986000    
 C  -0.3069000       2.007600     -0.2833000    
 C  -0.3942000     -0.5487000     -0.3130000    
 C    1.145700       2.033500      0.2294000    
 C    1.085100     -0.4607000     -0.1379000    
 C    1.795900      0.7021000      8.3300002E-02
 C   -3.193400     -0.3549000      0.2459000    
 C   -4.650700     -0.2805000     -0.2025000    
 C    3.459900     -0.7201000      4.5499999E-02
 C   -5.453400      -1.459700      0.3250000    
 H   -1.039700      0.7542000       1.298000    
 H  -0.8180000       2.918400      5.2099999E-02
 H  -0.3015000       2.032000      -1.381800    
 H  -0.6116000     -0.7044000      -1.377800    
 H  -0.7543000      -1.422100      0.2427000    
 H    1.151600       2.310800       1.290400    
 H    1.714300       2.796800     -0.3129000    
 H   -2.890600       1.654600      7.0799999E-02
 H   -2.797700      -1.296800     -0.1460000    
 H   -3.151400     -0.3939000       1.341300    
 H   -5.109100      0.6490000      0.1565000    
 H   -4.708400     -0.2680000      -1.297800    
 H   -5.046900      -2.407500     -4.1999999E-02
 H   -5.444900      -1.482500       1.419400    
 H   -6.494500      -1.386900     -4.6999999E-03
 H    4.909100      -2.212300     -2.5100000E-02
 H    5.528700     -0.6265000      0.2532000    


%chk=000059868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059868

0 1
S 2.383171 -1.882590 -0.335758
N -2.432614 0.617662 -0.279558
N 3.258966 0.594423 0.243060
N 5.020989 -1.026722 0.123340
C -1.024896 0.593063 0.180269
C -0.311427 1.887131 -0.281169
C -0.292188 -0.657603 -0.392290
C 1.130719 1.985816 0.270231
C 1.192394 -0.499089 -0.203373
C 1.859253 0.673325 0.095776
C -3.319892 -0.430650 0.272483
C -4.777139 -0.211941 -0.179803
C 3.700402 -0.637032 0.054486
C -5.738464 -1.283060 0.377486
H -0.952703 0.539141 1.298301
H -0.894971 2.770720 0.048026
H -0.297709 1.898907 -1.388058
H -0.562796 -0.749264 -1.463763
H -0.656167 -1.572829 0.112726
H 1.119820 2.261624 1.344165
H 1.689569 2.785598 -0.250432
H -2.843326 1.552163 -0.136417
H -2.977530 -1.418557 -0.092648
H -3.284258 -0.473738 1.392317
H -5.114796 0.793634 0.149160
H -4.805541 -0.208186 -1.286071
H -5.445777 -2.294675 0.038859
H -5.737479 -1.285355 1.483810
H -6.775383 -1.102862 0.040921
H 5.306328 -1.987939 -0.031800
H 5.718445 -0.316316 0.332125


