%chk=000085767.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085767

0 1
 O    3.256100     -0.5463000      0.7462000    
 O    2.631800      -1.250500      -1.246000    
 N   -1.275600      -1.299500      0.3691000    
 N    2.458700      -1.082500     -3.2699998E-02
 N   -4.799100     -0.5312000     -0.5572000    
 C   2.1700000E-02 -0.8592000     -0.1634000    
 C    1.185600      -1.591300      0.5429000    
 C   0.1313000      0.6567000     -5.9599999E-02
 C   -2.363300     -0.6896000     -0.3746000    
 C    1.209300      -3.101600      0.3333000    
 C  -0.4579000       1.294700       1.011800    
 C   0.8169000       1.343200      -1.040000    
 C   -3.706000      -1.157600      0.1785000    
 C  -0.3573000       2.682700       1.107100    
 C   0.9175000       2.731200     -0.9446000    
 C   0.3303000       3.400800      0.1291000    
 H   3.7700001E-02  -1.130100      -1.230100    
 H    1.203300      -1.361800       1.616000    
 H   -1.350500      -2.313800      0.3074000    
 H   -2.297500     -0.9823000      -1.431500    
 H   -2.367800      0.4038000     -0.3496000    
 H    1.132600      -3.373200     -0.7258000    
 H   0.3763000      -3.580600      0.8580000    
 H    2.133000      -3.544200      0.7244000    
 H  -0.9719000      0.7641000       1.807400    
 H    1.254900      0.8441000      -1.897600    
 H   -3.794600     -0.8903000       1.237500    
 H   -3.796700      -2.247200      0.1002000    
 H  -0.8082000       3.203900       1.946700    
 H    1.447300       3.291300      -1.709400    
 H   0.4088000       4.481600      0.2033000    
 H   -5.688100     -0.8893000     -0.2108000    
 H   -4.747900     -0.7962000      -1.540000    


%chk=000085767-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085767

0 1
O 3.334133 -0.596595 0.845581
O 2.736615 -1.297249 -1.241667
N -1.290201 -1.287398 0.212293
N 2.502321 -1.109467 0.012307
N -4.937394 -0.838667 -0.637313
C 0.023056 -0.815927 -0.282787
C 1.131314 -1.553220 0.544066
C 0.164241 0.702057 -0.123606
C -2.472721 -0.729373 -0.485736
C 1.078328 -3.091640 0.463056
C -0.256478 1.337641 1.071814
C 0.751259 1.479221 -1.150172
C -3.766043 -1.319556 0.110607
C -0.090173 2.728810 1.237482
C 0.921975 2.873031 -0.984262
C 0.502469 3.501302 0.209979
H 0.198124 -1.073958 -1.355772
H 1.111423 -1.204909 1.589176
H -1.337554 -2.315451 0.224116
H -2.448393 -0.931868 -1.587028
H -2.489958 0.365707 -0.362597
H 1.027372 -3.431670 -0.585526
H 0.203485 -3.469546 1.019561
H 1.974537 -3.534492 0.931644
H -0.732851 0.732060 1.851915
H 1.080840 0.993367 -2.076477
H -3.852880 -0.984189 1.159829
H -3.671571 -2.437150 0.138615
H -0.421697 3.212669 2.163285
H 1.381418 3.464597 -1.783937
H 0.633344 4.581649 0.338908
H -5.832147 -0.920376 -0.150270
H -4.985494 -1.149612 -1.611081


