%chk=000135678.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135678

0 1
 O    4.572600     -0.8165000      -1.658000    
 O    1.762800     -0.8123000       1.989300    
 N    3.095700     -0.8105000      0.1324000    
 N    2.939100     -0.8484000       1.612300    
 N    5.426400     -0.9132000      0.4460000    
 C  -0.3131000      0.4427000     -0.2537000    
 C   -1.018300       1.636000      1.6700000E-02
 C    1.082700      0.4893000     -0.4053000    
 C   -2.418300     -0.8102000     -0.2141000    
 C   -3.123500      0.3831000      5.5799998E-02
 C   -1.022300     -0.7648000     -0.3652000    
 C   -2.414200       1.590600      0.1680000    
 C    1.892100     -0.7374000     -0.6936000    
 C  -0.3085000       2.843000      0.1286000    
 C    1.772500       1.696500     -0.2917000    
 C    1.077700       2.871900     -2.4900001E-02
 C   -3.128300      -2.017100     -0.3261000    
 C   -4.519400      0.3371000      0.2065000    
 C   -4.514900      -2.045500     -0.1741000    
 C   -5.209500     -0.8699000      9.2000000E-02
 C    4.368400     -0.8446000     -0.4408000    
 H  -0.5320000      -1.706400     -0.5894000    
 H   -2.958600       2.511700      0.3766000    
 H    1.386000      -1.686000     -0.5124000    
 H    2.161600     -0.7303000      -1.756300    
 H  -0.8314000       3.774500      0.3357000    
 H    2.849400       1.753600     -0.4245000    
 H    1.613200       3.813100      5.9700001E-02
 H   -2.606600      -2.949200     -0.5335000    
 H   -5.082900       1.244200      0.4149000    
 H   -5.051300      -2.985600     -0.2633000    
 H   -6.288800     -0.8911000      0.2107000    
 H    5.317500     -0.9377000       1.453200    
 H    6.381000     -0.9410000      0.1024000    


%chk=000135678-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135678

0 1
O 4.433897 0.530626 0.006865
O 1.463632 -2.977316 -0.243322
N 2.765053 -1.125336 -0.120894
N 2.415127 -2.384777 0.371592
N 4.357279 -1.144329 1.643078
C -0.141321 0.586013 -0.546973
C -0.920044 1.795785 -0.272619
C 1.248320 0.736187 -0.950802
C -2.141328 -0.781533 -0.017533
C -2.914657 0.425615 0.249061
C -0.782864 -0.670891 -0.407495
C -2.278313 1.682338 0.114116
C 2.121399 -0.467942 -1.299621
C -0.294341 3.085979 -0.404458
C 1.803988 2.012175 -1.062821
C 1.036265 3.192616 -0.788655
C -2.786054 -2.062887 0.125476
C -4.295867 0.296113 0.640627
C -4.121625 -2.150476 0.505930
C -4.885293 -0.957989 0.765401
C 3.922530 -0.502119 0.512313
H -0.225579 -1.595556 -0.593339
H -2.849959 2.597784 0.313694
H 1.549073 -1.266486 -1.803050
H 2.942760 -0.141681 -1.957327
H -0.889892 3.982595 -0.195141
H 2.857501 2.109965 -1.344642
H 1.510808 4.174600 -0.886608
H -2.201317 -2.969366 -0.070580
H -4.875741 1.205495 0.839561
H -4.602018 -3.129369 0.611678
H -5.935814 -1.047082 1.063562
H 3.900183 -2.002131 1.954407
H 5.171012 -0.767020 2.122418


