%chk=000081938.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081938

0 1
 O   -1.339300      -1.365800      -1.277700    
 O   0.7660000       2.656900     -0.7195000    
 O    2.859100      -1.241400      0.7241000    
 N   0.7220000      -1.355600     -0.1812000    
 N    1.826600      0.7432000      9.7400002E-02
 C  -0.5620000      0.7087000     -0.4130000    
 C   -1.282600      0.9044000      0.9189000    
 C   -2.724000      0.3732000      0.9158000    
 C  -0.4372000     -0.7642000     -0.6931000    
 C   0.7351000       1.471000     -0.3875000    
 C   -3.583000       1.018700     -0.1725000    
 C   -2.711600      -1.146100      0.7317000    
 C    1.869500     -0.6605000      0.2645000    
 C   0.8020000      -2.812500     -0.1901000    
 C    3.059400       1.470100      0.3822000    
 H   -1.131200       1.142500      -1.244000    
 H  -0.7225000      0.4272000       1.734600    
 H   -1.308800       1.974900       1.164100    
 H   -3.164400      0.6106000       1.892600    
 H   -3.288700      0.7177000      -1.182200    
 H   -3.532000       2.110700     -0.1106000    
 H   -4.631800      0.7288000     -4.3099999E-02
 H   -3.129500      -1.499500     -0.2140000    
 H   -3.466200      -1.528800       1.438700    
 H   -1.809800      -1.659100       1.073800    
 H    1.538300      -3.113200     -0.9422000    
 H  -0.1605000      -3.276900     -0.4190000    
 H    1.145300      -3.162100      0.7887000    
 H    3.433600       1.177300       1.368400    
 H    2.912500       2.552700      0.3619000    
 H    3.806100       1.190700     -0.3678000    


%chk=000081938-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081938

0 1
O -1.231893 -1.384292 -1.523348
O 0.817047 2.736468 -0.479902
O 2.925317 -1.291780 0.588742
N 0.797821 -1.375832 -0.370363
N 1.878763 0.737399 0.099479
C -0.546111 0.712937 -0.471122
C -1.321278 0.908107 0.893536
C -2.808670 0.446386 0.960251
C -0.373854 -0.746906 -0.855689
C 0.759085 1.487801 -0.326613
C -3.622647 0.870480 -0.285284
C -2.984501 -1.062596 1.264081
C 1.915151 -0.678892 0.154593
C 0.947279 -2.845339 -0.503968
C 3.128290 1.441518 0.477122
H -1.135163 1.200356 -1.264704
H -0.747174 0.421414 1.707322
H -1.287672 1.999540 1.077994
H -3.223880 0.998488 1.831025
H -3.313042 0.292221 -1.174510
H -3.501191 1.948499 -0.504567
H -4.699157 0.680391 -0.121548
H -2.673907 -1.690428 0.412802
H -4.047781 -1.285755 1.470786
H -2.400895 -1.362303 2.155644
H 1.807646 -3.085775 -1.149285
H 0.020537 -3.229242 -0.953670
H 1.117670 -3.294496 0.487173
H 3.414342 1.168816 1.505201
H 2.931727 2.520470 0.399932
H 3.948540 1.155945 -0.201205


