%chk=000062088.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062088

0 1
 O    2.443800       1.712400     -0.4051000    
 O    3.648700     -0.1844000      0.4653000    
 N   -4.106200      0.2284000      0.2255000    
 C   -1.856300     -0.7138000     -0.3929000    
 C  -0.3875000     -0.6075000     -0.1517000    
 C   -2.670400      0.2749000      0.4859000    
 C   -2.221800     -0.5534000      -1.885500    
 C   0.2765000      0.5892000     -0.4317000    
 C   0.3156000      -1.714200      0.3560000    
 C    1.634500      0.6391000     -0.1925000    
 C    2.322600     -0.4440000      0.3044000    
 C    1.690700      -1.637000      0.5894000    
 C    3.718300       1.183600      1.4300000E-02
 C   -4.808400       1.226700       1.018300    
 H   -2.183600      -1.725400     -0.1125000    
 H   -2.474200      5.2499998E-02   1.543300    
 H   -2.315500       1.297300      0.3048000    
 H   -3.269300     -0.8121000      -2.071100    
 H   -1.608000      -1.216200      -2.506100    
 H   -2.059500      0.4728000      -2.232800    
 H  -0.2411000       1.455700     -0.8282000    
 H  -0.2012000      -2.645600      0.5741000    
 H    2.236600      -2.488100      0.9805000    
 H   -4.462600     -0.7001000      0.4496000    
 H    4.103500       1.803500      0.8321000    
 H    4.416300       1.240100     -0.8289000    
 H   -4.669500       1.059300       2.091400    
 H   -5.880700       1.171400      0.8061000    
 H   -4.477000       2.239500      0.7673000    


%chk=000062088-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000062088

0 1
O 2.597685 1.668797 -0.499879
O 3.757898 -0.227073 0.405651
N -4.130254 0.129813 0.376915
C -1.907538 -0.687322 -0.437267
C -0.399510 -0.608994 -0.191871
C -2.669932 0.339800 0.448784
C -2.273753 -0.515007 -1.933202
C 0.315379 0.590062 -0.499300
C 0.299902 -1.719049 0.344917
C 1.686074 0.608870 -0.245034
C 2.369186 -0.504661 0.289103
C 1.701746 -1.691264 0.592663
C 3.887535 1.219154 0.087234
C -4.933268 1.152662 1.072468
H -2.241481 -1.699217 -0.121921
H -2.272165 0.283507 1.493575
H -2.458745 1.365767 0.085055
H -3.370980 -0.525794 -2.050067
H -1.830683 -1.320774 -2.545620
H -1.900920 0.450123 -2.324542
H -0.186823 1.464431 -0.923185
H -0.256617 -2.634218 0.577080
H 2.231621 -2.556415 0.999170
H -4.383297 -0.823293 0.672315
H 4.072185 1.779939 1.023369
H 4.686463 1.351889 -0.658731
H -4.680226 1.283864 2.153708
H -6.005489 0.897320 0.999530
H -4.789696 2.131684 0.578381


