%chk=000115639.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115639

0 1
 O    5.360200       1.008700      -1.827100    
 O   0.1254000      -2.082700       2.240800    
 N   0.3155000      2.9400000E-02   1.292300    
 N    3.606400     -0.6649000     -0.3353000    
 C   -1.276800     -0.3308000     -0.5719000    
 C   -1.059300      0.1731000      0.8832000    
 C   -1.218100      0.9216000      -1.487000    
 C   -1.455200       1.616800      0.7891000    
 C   -1.547800       2.034900     -0.5422000    
 C   -2.563400      -1.140000     -0.6861000    
 C   -1.697900       2.499500       1.830300    
 C   -1.875000       3.343100     -0.8599000    
 C   0.7994000      -1.099800       1.944800    
 C    2.275300     -0.9677000       2.282800    
 C    3.152700      -2.043400       1.643000    
 C    3.134200      -1.972600      0.1149000    
 C   -2.543300      -2.516700     -0.4628000    
 C   -3.760800     -0.5037000      -1.013300    
 C   -2.038700       3.817500       1.519300    
 C   -2.125900       4.236600      0.1831000    
 C    4.996000     -0.4386000      8.5600004E-02
 C    3.496900     -0.5451000      -1.795900    
 C    5.469900      0.9263000     -0.4056000    
 C    4.006900      0.8218000      -2.243400    
 C   -3.720700      -3.257400     -0.5670000    
 C   -4.938100      -1.244500      -1.117400    
 C   -4.918000      -2.621300     -0.8942000    
 H  -0.4649000      -1.003900     -0.8834000    
 H   -1.701900     -0.3547000       1.598100    
 H  -0.1916000       1.069900      -1.844500    
 H   -1.883300      0.8800000      -2.353900    
 H   0.9615000      0.7764000       1.053000    
 H   -1.624700       2.179900       2.864400    
 H   -1.937100       3.670600      -1.892200    
 H    2.346000      -1.061800       3.374100    
 H    2.649400      3.4899998E-02   2.049700    
 H    4.164800      -2.010900       2.057500    
 H    2.759600      -3.028200       1.929200    
 H    2.111700      -2.146000     -0.2422000    
 H    3.753200      -2.782400     -0.2927000    
 H   -1.617200      -3.023400     -0.2048000    
 H   -3.826500      0.5663000      -1.178100    
 H   -2.234500       4.527000       2.318700    
 H   -2.388000       5.267100     -4.0399998E-02
 H    5.106000     -0.4256000       1.173000    
 H    5.651400      -1.220800     -0.3190000    
 H    2.451900     -0.6534000      -2.108700    
 H    4.083300      -1.332500      -2.287300    
 H    6.523300       1.071800     -0.1453000    
 H    4.898900       1.742700      5.3599998E-02
 H    3.386100       1.634400      -1.846700    
 H    3.982300      0.8895000      -3.335800    
 H   -3.705300      -4.329100     -0.3922000    
 H   -5.871700     -0.7491000      -1.368100    
 H   -5.835000      -3.197700     -0.9740000    


%chk=000115639-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115639

0 1
O 4.369989 2.585085 -0.321660
O -0.013709 -2.747211 1.870195
N 0.647914 -0.704143 0.956579
N 3.297214 -0.122598 -0.159154
C -1.338445 -1.070535 -0.623875
C -0.727876 -0.286029 0.617120
C -1.021011 -0.160303 -1.851637
C -0.737528 1.163312 0.149410
C -0.895358 1.236967 -1.258129
C -2.825234 -1.349365 -0.388522
C -0.587815 2.332150 0.922600
C -0.906081 2.489756 -1.906678
C 0.902294 -1.909009 1.578323
C 2.382174 -2.144190 1.916214
C 3.285280 -2.528665 0.708847
C 3.233616 -1.573816 -0.507120
C -3.174189 -2.442260 0.451522
C -3.864762 -0.546335 -0.921604
C -0.602663 3.591066 0.273146
C -0.760062 3.667810 -1.132698
C 4.564297 0.260286 0.529232
C 3.113627 0.725151 -1.377423
C 4.541151 1.757072 0.881418
C 3.115064 2.213953 -0.997698
C -4.526260 -2.736325 0.729675
C -5.220330 -0.838157 -0.640743
C -5.557346 -1.936716 0.181318
H -0.822372 -2.042751 -0.701087
H -1.356819 -0.465903 1.507989
H -0.061187 -0.465976 -2.316406
H -1.786146 -0.229942 -2.644706
H 1.478516 -0.145842 0.661959
H -0.472847 2.270258 2.010749
H -1.034108 2.557158 -2.993605
H 2.414963 -2.960999 2.657099
H 2.784261 -1.233102 2.397865
H 4.325485 -2.618986 1.078075
H 2.999280 -3.534455 0.346042
H 2.279385 -1.725080 -1.047379
H 4.054509 -1.850643 -1.213077
H -2.371078 -3.043185 0.895968
H -3.626318 0.317623 -1.551935
H -0.499098 4.511006 0.859233
H -0.775856 4.647849 -1.623199
H 4.674288 -0.332261 1.455131
H 5.446480 0.049555 -0.122659
H 2.145954 0.467556 -1.848359
H 3.924057 0.529967 -2.120157
H 5.499638 2.072592 1.325169
H 3.714931 1.959153 1.597873
H 2.250025 2.438689 -0.338722
H 3.062291 2.850096 -1.895918
H -4.775938 -3.586776 1.374623
H -6.010935 -0.206374 -1.062273
H -6.607813 -2.165076 0.395148


