%chk=000068061.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068061

0 1
 O   -3.424500      -1.611600      0.1373000    
 O    1.706100      -2.413400      0.3023000    
 O   0.8917000       3.007400     -0.3545000    
 O    3.775000     -0.7059000      0.1252000    
 O   -1.667500       2.591200     -0.3385000    
 N   -1.044100      -1.460000      0.1520000    
 C   8.7200001E-02 -0.6089000      6.5700002E-02
 C  -8.4399998E-02  0.7989000     -0.1043000    
 C   -2.272800     -0.8950000      6.7800000E-02
 C   -2.541400      0.4443000     -9.4899997E-02
 C   -1.460600       1.395500     -0.1932000    
 C    1.405300      -1.090700      0.1410000    
 C    1.016600       1.659900     -0.1924000    
 C    2.500300     -0.2251000      5.2400000E-02
 C  -0.9369000      -2.905100      0.3253000    
 C    2.306700       1.143400     -0.1136000    
 C   -3.947000      0.5689000     -0.1282000    
 C   -4.439300     -0.7106000      1.6700000E-02
 C    2.482400      -3.027300     -0.7222000    
 C   0.8158000       3.797800      0.8300000    
 C    4.831100      0.2460000      2.6000001E-02
 H  -0.4076000      -3.151700       1.252000    
 H  -0.4373000      -3.364400     -0.5340000    
 H   -1.912400      -3.399500      0.4025000    
 H    3.116500       1.861300     -0.1906000    
 H   -4.533600       1.469100     -0.2427000    
 H   -5.435700      -1.126300      5.2700002E-02
 H    2.082600      -4.032300     -0.8890000    
 H    3.520000      -3.135000     -0.3936000    
 H    2.434600      -2.484900      -1.673200    
 H    1.807100       3.876300       1.287200    
 H   0.1090000       3.376700       1.552400    
 H   0.4788000       4.800300      0.5526000    
 H    4.815200      0.9578000      0.8585000    
 H    4.839400      0.7418000     -0.9508000    
 H    5.771700     -0.3094000      0.1048000    


%chk=000068061-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068061

0 1
O -3.314061 -1.645149 0.172284
O 1.710749 -2.494046 0.085774
O 1.170708 3.122701 0.014975
O 3.890184 -0.839967 -0.018695
O -1.618345 2.649356 -0.654903
N -0.913738 -1.425931 0.300627
C 0.200271 -0.548405 0.132719
C -0.019453 0.890338 0.000004
C -2.154378 -0.875346 0.101287
C -2.442584 0.450127 -0.212751
C -1.382774 1.440190 -0.302293
C 1.517466 -1.094134 0.068613
C 1.151684 1.726155 0.019962
C 2.635902 -0.218858 0.012868
C -0.839213 -2.806573 0.853808
C 2.448738 1.175094 0.016393
C -3.883023 0.527336 -0.367188
C -4.386215 -0.730905 -0.125917
C 2.289928 -3.064493 -1.152210
C 0.318117 3.889757 0.947936
C 5.074072 0.027586 -0.043299
H -0.057729 -2.855820 1.623394
H -0.604509 -3.544663 0.071938
H -1.820558 -3.042313 1.294876
H 3.284338 1.877574 0.034439
H -4.447273 1.422486 -0.617951
H -5.374413 -1.178893 -0.106591
H 2.279231 -4.154756 -0.997977
H 3.324516 -2.709001 -1.291120
H 1.671037 -2.797498 -2.030667
H 0.212999 3.351139 1.909105
H -0.669459 4.054675 0.491770
H 0.859452 4.836843 1.102426
H 5.128132 0.650495 0.869314
H 5.078150 0.676407 -0.939552
H 5.930049 -0.662007 -0.074700


