%chk=000034386.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034386

0 1
 O    1.319900     -0.2126000      0.4332000    
 O    1.146700     -0.1877000      -1.891000    
 O    3.085600      -3.851700      0.2130000    
 O    1.259100      -2.640800      0.4027000    
 N    2.816900       2.069300      0.3274000    
 N    2.502300      -2.745100      0.2841000    
 C    3.429700      0.8728000      0.2520000    
 C    4.829700      0.7605000      0.1195000    
 C    2.680800     -0.2997000      0.3042000    
 C   -3.551000      0.1058000     -0.1500000    
 C    3.283500      -1.557700      0.2290000    
 C  -0.8283000     -6.4099997E-02 -0.5606000    
 C    5.436100     -0.5048000      4.3699998E-02
 C   -4.979000      0.1964000      6.4800002E-02
 C    4.662800      -1.660800      9.8399997E-02
 C   -3.055700     -0.5277000      -1.289700    
 C   -2.669500      0.6533000      0.7821000    
 C    5.584100       1.940400      6.7000002E-02
 C   -1.679000     -0.6135000      -1.497400    
 C   -1.292800      0.5674000      0.5746000    
 C   0.6377000     -0.1571000     -0.7806000    
 C   -5.690400       1.290500     -0.4275000    
 C   -5.644200     -0.8115000      0.7625000    
 C    4.955300       3.174700      0.1444000    
 C    3.581200       3.184000      0.2729000    
 C   -7.067400       1.376500     -0.2221000    
 C   -7.021300     -0.7254000      0.9678000    
 C   -7.732900      0.3686000      0.4755000    
 H    6.515300     -0.5961000     -5.8499999E-02
 H    5.173300      -2.618100      3.6200002E-02
 H   -3.728900     -0.9605000      -2.026000    
 H   -3.039000       1.153400       1.674400    
 H    6.666200       1.903800     -3.4600001E-02
 H   -1.305100      -1.112500      -2.386400    
 H  -0.6275000       1.013100       1.307800    
 H   -5.187300       2.084900     -0.9738000    
 H   -5.104900      -1.671500       1.152700    
 H    5.523100       4.096900      0.1054000    
 H    3.035000       4.119400      0.3379000    
 H   -7.621600       2.228300     -0.6055000    
 H   -7.539500      -1.510300       1.511000    
 H   -8.805000      0.4356000      0.6353000    


%chk=000034386-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000034386

0 1
O 1.392523 -0.422202 0.430485
O 1.190699 -0.581545 -1.903275
O 3.558122 -3.456093 2.151728
O 1.794809 -3.108128 0.746256
N 2.675483 1.850076 -0.493014
N 2.915725 -2.756090 1.271808
C 3.457996 0.791077 -0.064138
C 4.902874 0.841114 -0.027527
C 2.785174 -0.408930 0.367734
C -3.611639 0.075736 -0.122605
C 3.549483 -1.489484 0.834982
C -0.804707 -0.251649 -0.528169
C 5.640144 -0.282138 0.469993
C -5.076205 0.247125 0.091314
C 4.975290 -1.421614 0.907412
C -3.076343 -0.100308 -1.431185
C -2.705087 0.082524 0.975751
C 5.528532 2.044036 -0.491149
C -1.696119 -0.263545 -1.633386
C -1.321950 -0.077722 0.781502
C 0.638750 -0.423714 -0.800914
C -5.570343 1.058636 1.150665
C -6.019385 -0.396027 -0.758252
C 4.735380 3.100568 -0.940806
C 3.309218 2.958835 -0.915539
C -6.956857 1.222300 1.352766
C -7.406076 -0.234372 -0.555921
C -7.882603 0.576371 0.500526
H 6.734018 -0.235884 0.502949
H 5.510825 -2.286757 1.306247
H -3.746769 -0.078574 -2.296826
H -3.094110 0.181061 1.994671
H 6.621572 2.119440 -0.485455
H -1.285055 -0.391383 -2.640143
H -0.637002 -0.081385 1.632964
H -4.865501 1.590218 1.799900
H -5.665803 -1.053249 -1.560604
H 5.179735 4.032138 -1.303839
H 2.668381 3.781806 -1.252310
H -7.315182 1.859543 2.168849
H -8.114555 -0.747698 -1.215443
H -8.959446 0.702287 0.657799


