%chk=000124640.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124640

0 1
 O    1.958000      0.9800000     -0.6856000    
 O    1.501300      -1.261100     -9.0700001E-02
 O  -6.4700000E-02   2.414000      0.9502000    
 O    3.852600      0.8249000       1.071500    
 O   -4.203800      0.2368000     -0.1730000    
 O   -3.522200      -1.877300      0.4789000    
 N    4.205600      -1.431700      0.7934000    
 C   0.5604000      0.7169000     -0.6712000    
 C   0.4644000     -0.3889000      0.3571000    
 C  -0.3784000       1.858100     -0.3245000    
 C    2.519600     -0.3394000     -0.5365000    
 C   -1.829100       1.313800     -0.3294000    
 C  -0.9193000     -0.9460000      0.3854000    
 C   -1.956300     -0.1422000      8.5299999E-02
 C    3.109300     -0.8225000      -1.849800    
 C    3.577500     -0.2391000      0.5224000    
 C   -3.301100     -0.7195000      0.1613000    
 C   -5.573700     -0.1770000     -0.1450000    
 H   0.3062000      0.3488000      -1.677600    
 H   0.7404000     -5.9300002E-02   1.367800    
 H  -0.2700000       2.670900      -1.051000    
 H   -2.211900       1.401200      -1.354800    
 H   -2.449100       1.942100      0.3215000    
 H   -1.047000      -1.976400      0.6999000    
 H    3.939900     -0.1845000      -2.171000    
 H    3.460200      -1.858000      -1.794600    
 H    2.353600     -0.7879000      -2.643000    
 H  -0.6874000       3.142800       1.113300    
 H    4.945900      -1.483600       1.485400    
 H    3.940800      -2.304200      0.3481000    
 H   -6.192800      0.6774000     -0.4311000    
 H   -5.853700     -0.4914000      0.8650000    
 H   -5.739300     -0.9868000     -0.8619000    


%chk=000124640-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124640

0 1
O 1.948970 1.019067 -0.895819
O 1.581206 -1.311066 -0.400760
O 0.115117 2.265485 1.011790
O 4.530134 0.760921 0.445656
O -4.319313 0.195098 -0.064188
O -3.623162 -2.009424 0.235330
N 3.475204 -1.062150 1.461724
C 0.507597 0.711776 -0.855543
C 0.455129 -0.481355 0.099968
C -0.365178 1.840938 -0.311863
C 2.643969 -0.306760 -0.730856
C -1.817266 1.304520 -0.147281
C -0.910907 -1.080726 0.091197
C -1.965748 -0.211483 0.008898
C 3.341087 -0.716617 -2.019347
C 3.642540 -0.135793 0.455606
C -3.339292 -0.796188 0.075719
C -5.720425 -0.284100 -0.004290
H 0.152183 0.404610 -1.860096
H 0.707330 -0.116578 1.121168
H -0.364067 2.705654 -1.004935
H -2.432496 1.626018 -1.006973
H -2.249711 1.815787 0.732551
H -1.076813 -2.157611 0.201669
H 4.137388 0.011226 -2.244558
H 3.792544 -1.718240 -1.910836
H 2.614922 -0.738786 -2.848273
H 1.077503 2.497139 0.921387
H 4.099112 -1.041032 2.267439
H 2.756951 -1.781898 1.365540
H -6.331940 0.621381 -0.120986
H -5.913752 -0.774917 0.964253
H -5.912917 -1.003997 -0.817491


