%chk=000104095.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104095

0 1
 O    3.022500       1.838400      0.7744000    
 O    1.649000      -2.378000      -1.035300    
 O    3.605100     -0.7872000      0.1119000    
 N   -2.595500      0.3861000     -0.4539000    
 N   -4.939200     -0.3379000       1.090000    
 C   -2.501100      9.9200003E-02  0.9833000    
 C   -3.921700      0.9210000     -0.7879000    
 C   -3.611000     -0.8611000       1.418200    
 C   -5.023400     -4.4000000E-02 -0.3423000    
 C   -1.542600       1.310600     -0.8694000    
 C  -0.1696000      0.7511000     -0.6077000    
 C   0.1072000     -0.5663000     -0.9452000    
 C   0.8001000       1.560600     -3.2699998E-02
 C    2.072100       1.042200      0.2098000    
 C    1.379200      -1.084800     -0.7026000    
 C    2.361700     -0.2805000     -0.1251000    
 C    3.847600       2.591300     -0.1125000    
 C    1.405000      -3.368000     -3.8100000E-02
 C    4.054400     -0.7924000       1.465000    
 H   -2.571600       1.026100       1.569500    
 H   -1.552200     -0.3780000       1.249700    
 H   -4.003200       1.061700      -1.872500    
 H   -4.078600       1.901000     -0.3174000    
 H   -3.551700      -1.012500       2.501700    
 H   -3.468900      -1.843200      0.9494000    
 H   -4.967500     -0.9760000     -0.9191000    
 H   -6.000600      0.4041000     -0.5531000    
 H   -1.662900       2.279300     -0.3658000    
 H   -1.615200       1.501600      -1.948000    
 H   -5.648000      -1.027100       1.338800    
 H  -0.6440000      -1.200000      -1.409400    
 H   0.5801000       2.591900      0.2302000    
 H    3.242400       3.291400     -0.6970000    
 H    4.403600       1.926200     -0.7809000    
 H    4.562400       3.162000      0.4865000    
 H   0.3458000      -3.380400      0.2383000    
 H    2.021800      -3.185300      0.8472000    
 H    1.669500      -4.344500     -0.4529000    
 H    3.223300     -0.8302000       2.178000    
 H    4.680500      8.3600000E-02   1.655700    
 H    4.669200      -1.685400       1.611700    


%chk=000104095-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104095

0 1
O 3.108738 1.989632 0.574538
O 1.297030 -2.574528 -0.104335
O 3.546875 -0.864907 0.544517
N -2.786420 0.490422 -0.272499
N -5.313332 -0.217788 0.883754
C -2.956019 0.409298 1.201684
C -4.061764 0.861313 -0.935771
C -4.052991 -0.610615 1.553526
C -5.158512 -0.161053 -0.586156
C -1.662342 1.362773 -0.674130
C -0.292479 0.774674 -0.341854
C -0.077766 -0.621484 -0.399945
C 0.793196 1.629987 -0.041311
C 2.072606 1.094038 0.214003
C 1.194914 -1.169314 -0.126956
C 2.282472 -0.313115 0.207243
C 4.291248 1.973125 -0.316551
C 2.373565 -3.178914 -0.919770
C 3.859342 -0.758846 1.991037
H -3.236670 1.404677 1.629550
H -1.996985 0.096736 1.651550
H -3.901499 0.874375 -2.030705
H -4.411317 1.876646 -0.619748
H -4.211417 -0.617690 2.647513
H -3.695838 -1.623448 1.243232
H -4.868000 -1.146060 -1.028749
H -6.115546 0.156406 -1.039867
H -1.736875 2.385905 -0.223221
H -1.735150 1.501530 -1.772508
H -6.115004 -0.789871 1.177331
H -0.911988 -1.289078 -0.634602
H 0.668010 2.717403 0.002409
H 4.003829 2.298588 -1.334752
H 4.741103 0.965382 -0.356082
H 4.996200 2.696079 0.122006
H 3.363054 -2.813479 -0.598568
H 2.211706 -2.950473 -1.991265
H 2.283543 -4.263355 -0.753389
H 3.119603 -1.329516 2.582307
H 3.863659 0.300561 2.305499
H 4.861222 -1.199418 2.111533


