%chk=000113651.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113651

0 1
 S   0.1038000     -0.9166000     -0.9021000    
 N    6.181000       1.134900      0.3835000    
 N   -1.987200      -1.609200      0.5627000    
 N  -0.2893000      -3.280700      0.1679000    
 C    2.648700      8.5800000E-02 -0.5825000    
 C    3.950500      0.1322000      0.2233000    
 C    1.644200     -0.8683000      5.7900000E-02
 C    4.947000       1.112600     -0.3928000    
 C  -0.8658000      -2.039000      6.9399998E-02
 C   -2.357800     -0.2771000      0.3151000    
 C   -3.115000      3.2099999E-02 -0.8112000    
 C   -1.962900      0.7255000       1.196100    
 C   -3.480600       1.355400      -1.058200    
 C   -2.328800       2.048700      0.9491000    
 C   -3.087700       2.363700     -0.1781000    
 H    2.871600     -0.2332000      -1.608600    
 H    2.223200       1.095900     -0.6379000    
 H    3.731000      0.4288000       1.256900    
 H    4.390100     -0.8725000      0.2621000    
 H    2.075600      -1.872700      0.1107000    
 H    1.411400     -0.5448000       1.078000    
 H    4.519800       2.120900     -0.4140000    
 H    5.173500      0.8242000      -1.425200    
 H    6.853300       1.753300     -6.8400003E-02
 H    6.602600      0.2070000      0.3852000    
 H   -3.427800     -0.7468000      -1.501600    
 H   -1.372500      0.4895000       2.077600    
 H   -4.071600       1.600600      -1.935700    
 H   -2.022700       2.833700       1.634400    
 H   -3.372500       3.393900     -0.3705000    
 H  -0.7368000      -4.025200      0.6915000    
 H   0.5785000      -3.503200     -0.3068000    


%chk=000113651-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000113651

0 1
S 0.383239 -0.518536 -0.734369
N 6.935437 0.503298 -0.090514
N -1.937882 -1.144638 0.790640
N -0.190391 -2.679322 0.893678
C 3.115256 0.105641 -0.536040
C 4.561395 -0.226871 -0.097456
C 2.122155 -0.981749 -0.090955
C 5.568186 0.868623 -0.509488
C -0.748772 -1.502779 0.415327
C -2.673462 -0.005529 0.406045
C -2.719847 0.487496 -0.930757
C -3.466466 0.635122 1.399996
C -3.516146 1.608876 -1.248429
C -4.252554 1.758732 1.075325
C -4.281089 2.256001 -0.250474
H 3.078458 0.217860 -1.638275
H 2.805654 1.077085 -0.104422
H 4.617629 -0.352703 1.000680
H 4.872268 -1.194027 -0.547082
H 2.412005 -1.962776 -0.510389
H 2.066355 -1.047568 1.008325
H 5.297067 1.813387 -0.000244
H 5.463107 1.055228 -1.607528
H 7.610058 1.273285 -0.111829
H 7.300187 -0.338950 -0.546577
H -2.156870 -0.024299 -1.719643
H -3.444771 0.234205 2.418542
H -3.542948 1.973911 -2.281709
H -4.848799 2.245155 1.856007
H -4.897782 3.125618 -0.502715
H -0.751327 -3.232447 1.540650
H 0.647447 -3.077932 0.481481


