%chk=000064060.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064060

0 1
 O    1.077800      -2.887300     -0.5725000    
 O  -0.4784000       2.228500     -0.7999000    
 N   0.2382000      0.1138000     -4.9100000E-02
 N   -1.397400      -1.502800      0.5613000    
 C    1.620700      0.5019000     -0.1086000    
 C  -0.1599000      -1.150000      0.3935000    
 C   -2.129300      0.6805000     -0.2578000    
 C  -0.7167000       1.085200     -0.4176000    
 C   -2.408500     -0.5888000      0.2487000    
 C    2.243700       1.067500      0.9978000    
 C   0.8735000      -2.227300      0.6522000    
 C    2.322700      0.3010000      -1.291900    
 C   -3.165500       1.563500     -0.5842000    
 C    3.586400       1.437400      0.9203000    
 C   -3.743900     -0.9688000      0.4261000    
 C    1.507000       1.291900       2.278500    
 C    3.665300      0.6709000      -1.369400    
 C    4.297300       1.239000     -0.2634000    
 C   -4.491300       1.172300     -0.4032000    
 C   -4.781000     -9.2600003E-02  0.1027000    
 C    2.039400      -3.935800     -0.4634000    
 H   0.4796000      -2.930800       1.395400    
 H    1.810700      -1.811600       1.029900    
 H    1.839700     -0.1415000      -2.159000    
 H   -2.961100       2.555900     -0.9762000    
 H    4.094500       1.881200       1.772300    
 H   -3.985000      -1.955100      0.8155000    
 H    2.147900       1.747200       3.041500    
 H   0.6602000       1.968000       2.122800    
 H    1.143700      0.3431000       2.686200    
 H    4.218800      0.5160000      -2.290900    
 H    5.342800       1.526700     -0.3240000    
 H   -5.298000       1.854500     -0.6552000    
 H   -5.813600     -0.3982000      0.2439000    
 H    1.701800      -4.689100      0.2548000    
 H    3.009900      -3.531300     -0.1607000    
 H    2.145300      -4.406900      -1.444100    


%chk=000064060-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064060

0 1
O 1.252598 -2.815136 -0.699967
O -0.361033 2.283185 -0.507014
N 0.177773 0.052512 0.020037
N -1.519601 -1.606893 0.471788
C 1.599094 0.384784 -0.070520
C -0.249310 -1.250458 0.358311
C -2.175804 0.707614 -0.134968
C -0.761754 1.115749 -0.233449
C -2.508000 -0.638062 0.221799
C 2.216603 1.106704 0.987507
C 0.802556 -2.307281 0.607023
C 2.314455 -0.000432 -1.223678
C -3.203285 1.654304 -0.384008
C 3.594019 1.412206 0.851373
C -3.876137 -1.013561 0.324719
C 1.433224 1.559588 2.202930
C 3.684383 0.320281 -1.337695
C 4.325073 1.027038 -0.294909
C -4.550321 1.269616 -0.281923
C -4.884409 -0.068437 0.074239
C 2.374115 -3.745299 -0.554168
H 0.329396 -3.120137 1.190389
H 1.665334 -1.890147 1.169493
H 1.795776 -0.553211 -2.011002
H -2.912597 2.674853 -0.653690
H 4.093160 1.967592 1.654134
H -4.107202 -2.047782 0.596920
H 2.106472 1.937382 2.990483
H 0.738677 2.373903 1.924264
H 0.822921 0.744120 2.633622
H 4.241375 0.025547 -2.233324
H 5.387577 1.282701 -0.375176
H -5.345644 1.997070 -0.475756
H -5.937005 -0.362238 0.151967
H 2.095945 -4.621502 0.068665
H 3.256781 -3.243267 -0.104326
H 2.622095 -4.084808 -1.571789


