%chk=000089391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089391

0 1
 O   -5.217000       2.071000      0.2802000    
 O   -6.256300      0.7954000      -1.271100    
 O   -1.460700       1.095400      -1.423500    
 O    2.478100      0.4524000      0.4275000    
 O   0.7588000     -0.5769000       1.549800    
 N   -2.997800      0.6728000      0.2686000    
 N   0.4739000       1.483200      0.5176000    
 C   -4.398600      -1.339600     -0.1707000    
 C   -4.044900      0.1188000     -0.5518000    
 C   -3.143200      -2.235800     -0.2431000    
 C   -5.085900      -1.436300       1.198400    
 C   -3.435100      -3.713500     -1.9500000E-02
 C   -5.281000       1.009300     -0.5589000    
 C   -1.783000       1.118700     -0.2383000    
 C  -0.9035000       1.699500      0.8484000    
 C    1.196800      0.3627000      0.8940000    
 C    3.337700     -0.6473000      0.7478000    
 C    4.696900     -0.3923000      0.1657000    
 C    4.996200     -0.8300000      -1.124600    
 C    5.661000      0.2829000      0.9143000    
 C    6.259700     -0.5928000      -1.666000    
 C    6.924400      0.5201000      0.3726000    
 C    7.223600      8.2199998E-02 -0.9174000    
 H   -5.120400      -1.708500     -0.9127000    
 H   -3.688500      0.1235000      -1.590000    
 H   -2.680300      -2.122500      -1.231300    
 H   -2.398300      -1.916800      0.4958000    
 H   -4.399700      -1.168100       2.008500    
 H   -5.957200     -0.7770000       1.260500    
 H   -5.449600      -2.451100       1.387400    
 H   -3.191200      0.7900000       1.258900    
 H   -2.533400      -4.305000     -0.2095000    
 H   -4.219500      -4.067000     -0.6959000    
 H   -3.745100      -3.912500       1.010300    
 H   -1.119900       1.240500       1.818200    
 H   -1.081600       2.777000      0.9093000    
 H   -6.029800       2.618700      0.2411000    
 H   0.9497000       2.187700     -3.7799999E-02
 H    2.919100      -1.575400      0.3393000    
 H    3.407300     -0.7577000       1.837100    
 H    4.252800      -1.355000      -1.718500    
 H    5.439200      0.6308000       1.919800    
 H    6.492600     -0.9331000      -2.670800    
 H    7.675000       1.046400      0.9552000    
 H    8.207300      0.2672000      -1.339200    


%chk=000089391-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000089391

0 1
O -4.398365 0.192450 1.817319
O -5.193888 -1.575262 0.544769
O -3.025378 2.126933 -1.727316
O 1.891081 2.118425 0.760597
O -0.105950 1.449489 1.837763
N -2.436551 0.829666 0.129229
N -0.104784 2.860520 -0.032103
C -2.373555 -1.621158 -0.525131
C -3.230077 -0.329728 -0.274425
C -1.387102 -1.372579 -1.696313
C -1.668632 -2.096566 0.766644
C -0.636506 -2.640308 -2.158107
C -4.368220 -0.648734 0.698862
C -2.405710 1.981278 -0.628316
C -1.553582 3.117823 -0.015815
C 0.502172 2.085711 0.924821
C 2.688255 1.244497 1.691997
C 2.931171 -0.125515 1.099276
C 2.140085 -1.231556 1.500160
C 3.955571 -0.321066 0.137364
C 2.366939 -2.511601 0.946351
C 4.181165 -1.598314 -0.420275
C 3.387101 -2.697501 -0.015195
H -3.098242 -2.401061 -0.835242
H -3.710651 -0.049576 -1.233984
H -1.953973 -0.953369 -2.551920
H -0.654892 -0.596411 -1.397898
H -0.934663 -1.350643 1.124750
H -2.394700 -2.290068 1.578057
H -1.124296 -3.039569 0.585120
H -1.905088 0.813776 1.010809
H -0.033526 -2.428060 -3.059879
H -1.343643 -3.454060 -2.408802
H 0.055458 -3.013344 -1.381660
H -1.870067 3.289103 1.029525
H -1.755692 4.025359 -0.604885
H -5.160957 -0.076135 2.399402
H 0.477727 3.259294 -0.768615
H 2.145129 1.186667 2.650182
H 3.622288 1.816123 1.811089
H 1.346491 -1.081638 2.241354
H 4.572907 0.529991 -0.175344
H 1.754007 -3.361381 1.267299
H 4.974814 -1.739586 -1.162286
H 3.564926 -3.690316 -0.443526


