%chk=000093663.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093663

0 1
 O   -2.468500     -0.1897000      0.6223000    
 O   0.9430000      -3.064700      0.8310000    
 O   -1.522500      0.2795000      -1.417400    
 O    2.684700      -2.663200     -0.5555000    
 N  -0.3473000     -0.8544000      0.2331000    
 C   -3.677700      0.4524000      0.2024000    
 C    1.759800      0.1466000     -0.2122000    
 C   0.8843000      -1.043800     -0.4720000    
 C    2.167400      0.3695000       1.224800    
 C    2.157800      0.9668000      -1.201100    
 C    3.032500       2.167900     -0.9846000    
 C   -4.211800     -0.2752000      -1.030400    
 C   -4.673600      0.3570000       1.356200    
 C   -3.366400       1.913300     -0.1192000    
 C    3.042400       1.570500       1.438500    
 C    3.431900       2.380100      0.4445000    
 C   -1.454600     -0.2080000     -0.2938000    
 C    1.618700      -2.304700     -6.6399999E-02
 H   0.6451000      -1.149000      -1.537400    
 H    2.710900     -0.5058000       1.598500    
 H    1.275600      0.4959000       1.849500    
 H    1.843200      0.7742000      -2.223500    
 H    2.502400       3.058900      -1.339700    
 H    3.937700       2.059300      -1.592600    
 H   -4.163600      -1.362200     -0.8967000    
 H   -5.259900     -5.9000002E-03  -1.208700    
 H   -3.687500     -4.0899999E-02  -1.960200    
 H   -4.271800      0.8358000       2.256500    
 H   -4.862400     -0.6898000       1.620500    
 H   -5.630000      0.8298000       1.110000    
 H   -2.854900       2.070700      -1.072100    
 H   -4.292600       2.497200     -0.1808000    
 H   -2.738900       2.360800      0.6605000    
 H  -0.4196000      -1.204500       1.184200    
 H    3.367800       1.781400       2.453100    
 H    4.065800       3.232700      0.6701000    
 H    1.422900      -3.893400       1.043900    


%chk=000093663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093663

0 1
O -2.532232 -0.187792 0.534713
O 1.209616 -2.769174 1.122367
O -1.432417 0.349319 -1.507068
O 2.331932 -2.936802 -0.906946
N -0.392688 -0.842442 0.220411
C -3.856320 0.456711 0.145557
C 1.871242 0.182423 -0.178679
C 0.891061 -0.965670 -0.482269
C 2.224200 0.435014 1.278043
C 2.358720 0.935536 -1.197815
C 3.311247 2.097036 -1.010605
C -4.426948 -0.252277 -1.099125
C -4.715864 0.187100 1.392777
C -3.641945 1.966954 -0.080617
C 3.177496 1.599133 1.464205
C 3.666955 2.344021 0.441595
C -1.453559 -0.173462 -0.359813
C 1.550740 -2.311572 -0.165929
H 0.686591 -0.958146 -1.567126
H 2.660006 -0.480874 1.733909
H 1.292506 0.619207 1.856195
H 2.046633 0.713239 -2.227626
H 2.865787 3.015106 -1.452538
H 4.235587 1.919917 -1.603351
H -4.497020 -1.340702 -0.924319
H -5.443501 0.129761 -1.306066
H -3.792810 -0.069917 -1.980722
H -4.257536 0.644986 2.286268
H -4.815612 -0.897983 1.568660
H -5.724389 0.616157 1.254781
H -2.990540 2.144503 -0.950720
H -4.617623 2.454455 -0.260904
H -3.184434 2.429786 0.811861
H -0.513179 -1.280178 1.134475
H 3.473583 1.831149 2.496380
H 4.355230 3.173493 0.652941
H 1.669785 -3.632914 1.302401


