%chk=000096104.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096104

0 1
 O    5.778700       1.895700      -1.540600    
 O    6.261900       1.969100      0.5995000    
 N   0.2700000      -1.938900     -0.1221000    
 N    1.090400      -1.513600      0.8578000    
 N    3.007400     -0.3179000       1.576700    
 N    5.529400       1.590400     -0.3481000    
 C   -4.654200     -0.6856000     -6.1700001E-02
 C   -4.777600      0.8331000     -0.2049000    
 C   -3.250500      -1.166900     -0.4346000    
 C   -6.191300       1.309000      0.1367000    
 C   -3.137000      -2.690300     -0.3225000    
 C   -6.374700       2.820600     -1.3800000E-02
 C   -1.736900      -3.196200     -0.6592000    
 C   -7.770800       3.302400      0.3491000    
 C  -0.7191000      -2.650300      0.3058000    
 C    2.215000     -0.7281000      0.5609000    
 C    2.440900     -0.4215000     -0.7713000    
 C    3.551300      0.3559000      -1.081200    
 C    4.390000      0.7970000     -6.3600004E-02
 C    4.077000      0.4359000       1.237100    
 H   -4.882300     -0.9779000      0.9704000    
 H   -5.392600      -1.175800     -0.7079000    
 H   -4.054300       1.327000      0.4550000    
 H   -4.532400       1.127700      -1.232500    
 H   -3.013400     -0.8584000      -1.460000    
 H   -2.523400     -0.6803000      0.2258000    
 H   -6.913500      0.7962000     -0.5108000    
 H   -6.429800       1.019700       1.167800    
 H   -3.401200      -2.998600      0.6968000    
 H   -3.858600      -3.163500     -0.9991000    
 H   -5.646600       3.339300      0.6213000    
 H   -6.157300       3.111300      -1.048500    
 H   -1.714900      -4.288200     -0.5780000    
 H   -1.462600      -2.924400      -1.684200    
 H   -8.524100       2.832400     -0.2910000    
 H   -7.844000       4.387000      0.2227000    
 H   -8.007500       3.063300       1.390600    
 H  -0.8634000      -2.894900       1.374300    
 H   0.9213000      -1.740500       1.830800    
 H    1.801400     -0.7538000      -1.582000    
 H    3.734800      0.6002000      -2.124100    
 H    4.680600      0.7394000       2.087200    


%chk=000096104-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096104

0 1
O 6.349102 1.601048 -1.529994
O 6.760689 1.657661 0.719936
N 0.396096 -1.858599 -0.099489
N 1.303984 -1.421511 0.854071
N 3.249117 -0.375771 1.541077
N 6.034323 1.329409 -0.301849
C -4.806003 -0.632928 -0.071439
C -5.063259 0.881978 -0.238082
C -3.366688 -1.056294 -0.440235
C -6.497625 1.302122 0.154685
C -3.135773 -2.576844 -0.294272
C -6.763716 2.814695 -0.021570
C -1.691231 -3.027559 -0.647991
C -8.195834 3.225646 0.383687
C -0.664493 -2.505055 0.321921
C 2.452894 -0.743630 0.481916
C 2.770369 -0.461027 -0.881911
C 3.958296 0.227501 -1.147122
C 4.783888 0.609081 -0.057014
C 4.395246 0.290126 1.267120
H -5.016115 -0.926139 0.978835
H -5.526743 -1.197016 -0.700099
H -4.334209 1.448863 0.378074
H -4.871208 1.173127 -1.291974
H -3.147551 -0.751940 -1.484677
H -2.645300 -0.505620 0.197979
H -7.228326 0.729858 -0.454769
H -6.686587 1.019239 1.211662
H -3.375450 -2.890428 0.743566
H -3.842464 -3.120066 -0.952443
H -6.029235 3.386584 0.581720
H -6.582218 3.095862 -1.079196
H -1.654079 -4.137438 -0.638230
H -1.419416 -2.700086 -1.667882
H -8.949252 2.688843 -0.223370
H -8.360932 4.309971 0.245028
H -8.390767 2.987390 1.446416
H -0.848442 -2.697536 1.400375
H 1.172997 -1.579774 1.865259
H 2.090770 -0.784480 -1.671806
H 4.266165 0.477169 -2.165825
H 5.025083 0.580569 2.112510


