%chk=000059088.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059088

0 1
 O   0.4325000     -0.9507000     -2.0099999E-02
 O  -0.1845000     -0.8630000      -2.238000    
 O   -2.772400      -1.092300      -1.634700    
 N    3.116300       1.283700     -0.5248000    
 C    2.695800     -0.8771000      0.8560000    
 C    1.807500     -0.8414000     -0.4008000    
 C    4.155900     -0.8005000      0.3876000    
 C    2.412700      0.3809000       1.695600    
 C    2.050200      0.4751000      -1.160500    
 C    4.353400      0.4755000     -0.4477000    
 C    2.688100       1.632700      0.8472000    
 C  -0.4671000     -0.9490000      -1.048800    
 C   -1.891300      -1.070000     -0.5155000    
 C   -2.265500      0.1358000      0.3683000    
 C   -2.125900       1.492500     -0.3401000    
 C   -2.489900       2.643900      0.6017000    
 C   -2.046200      -2.327100      0.2416000    
 C   -2.341000       4.024100     -4.2100001E-02
 C   -2.632600       5.173300      0.9103000    
 C   -2.172100      -3.350500      0.8576000    
 C   -2.323800      -4.596100       1.607400    
 H    2.507700      -1.777100       1.450600    
 H    2.058700      -1.701400      -1.036000    
 H    4.829300     -0.7901000       1.252900    
 H    4.408600      -1.683200     -0.2115000    
 H    1.373100      0.3843000       2.043500    
 H    3.050900      0.3877000       2.587200    
 H    1.151800       1.097300      -1.235600    
 H    2.348300      0.2537000      -2.193400    
 H    4.686800      0.2127000      -1.459500    
 H    5.163500       1.079500     -2.0000000E-02
 H    3.456400       2.250300       1.329000    
 H    1.789500       2.261200      0.8067000    
 H   -1.647700      0.1428000       1.276400    
 H   -3.308400      3.0700000E-02  0.6983000    
 H   -1.098200       1.634600     -0.6894000    
 H   -2.776700       1.524400      -1.221600    
 H   -1.849600       2.595800       1.491400    
 H   -3.523300       2.519000      0.9481000    
 H   -2.570300      -1.881600      -2.166200    
 H   -3.013900       4.096400     -0.9048000    
 H   -1.319800       4.137100     -0.4255000    
 H   -1.948800       5.155200       1.764800    
 H   -3.657800       5.114600       1.289400    
 H   -2.512500       6.132600      0.3974000    
 H   -2.575100      -5.424900      0.9387000    
 H   -1.396900      -4.850800       2.130100    
 H   -3.120300      -4.507600       2.352300    


%chk=000059088-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059088

0 1
O 0.424173 -0.751426 -0.051214
O -0.271935 -1.246938 -2.219689
O -2.901805 -1.045755 -1.563256
N 3.290805 1.318150 -0.510542
C 2.725920 -0.879951 0.766007
C 1.861633 -0.761093 -0.504494
C 4.212450 -0.896967 0.305554
C 2.488434 0.347098 1.689170
C 2.237354 0.568390 -1.246340
C 4.520253 0.473197 -0.408637
C 2.800023 1.649508 0.864111
C -0.523446 -1.024634 -1.008930
C -1.968391 -1.084840 -0.427442
C -2.298891 0.137605 0.472073
C -2.134975 1.493099 -0.243948
C -2.564453 2.680192 0.646569
C -2.092341 -2.357366 0.321468
C -2.401722 4.049312 -0.052424
C -2.832473 5.235327 0.837257
C -2.228996 -3.415058 0.941713
C -2.395766 -4.680141 1.671252
H 2.474318 -1.814298 1.297255
H 1.982345 -1.639841 -1.164002
H 4.862871 -1.042869 1.187731
H 4.393297 -1.750472 -0.376217
H 1.446686 0.345314 2.053282
H 3.150132 0.266688 2.571869
H 1.343685 1.211991 -1.338090
H 2.597964 0.350716 -2.266297
H 4.910460 0.311496 -1.429672
H 5.278876 1.050437 0.149206
H 3.571748 2.265501 1.359419
H 1.895689 2.275088 0.754480
H -1.658981 0.090236 1.372008
H -3.347619 0.009241 0.799759
H -1.075071 1.634671 -0.543780
H -2.733219 1.481778 -1.173720
H -1.971558 2.676548 1.585802
H -3.624664 2.548413 0.948125
H -2.440292 -1.465580 -2.340852
H -2.996182 4.051064 -0.988444
H -1.343072 4.179664 -0.357587
H -2.229841 5.275183 1.764531
H -3.894857 5.143280 1.132499
H -2.710046 6.200981 0.313020
H -2.686250 -5.497588 0.986047
H -1.456887 -4.978271 2.173333
H -3.179982 -4.594081 2.445535


