%chk=000107454.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107454

0 1
 O   -6.590600     -0.9861000     -0.3167000    
 O    1.435600       4.586100      0.4680000    
 N    6.249300      -1.528800      -1.109000    
 N    6.101200      -1.732700       1.214200    
 C   -1.018800     -0.4229000     -8.1600003E-02
 C   -2.494100     -0.5716000     -0.1445000    
 C  -0.3680000      0.9061000      6.4900003E-02
 C  -0.2111000      -1.518500     -0.1385000    
 C    1.242400      -1.543200     -8.9800000E-02
 C   -3.118800     -0.5257000      -1.374200    
 C  -0.1164000       1.388100       1.331900    
 C   -3.196800     -0.7518000       1.029900    
 C  -3.7200000E-02   1.612400      -1.072400    
 C    1.981300      -1.451600      -1.269200    
 C    1.897200      -1.659500       1.136400    
 C   -4.505500     -0.6658000      -1.432300    
 C   0.4943000       2.634700       1.468200    
 C   -4.583400     -0.8920000      0.9719000    
 C   0.5737000       2.859000     -0.9361000    
 C   -5.237900     -0.8492000     -0.2594000    
 C   0.8395000       3.370200      0.3343000    
 C    4.030200      -1.592700      3.5999999E-03
 C    3.375100      -1.476600      -1.222600    
 C    3.291200      -1.684200       1.183100    
 C    5.483400      -1.618300      5.2000001E-02
 C   -7.277800      -1.170400      0.9201000    
 C    1.762100       5.285100     -0.7324000    
 H  -0.6636000      -2.504500     -0.2372000    
 H   -2.558800     -0.3847000      -2.294400    
 H  -0.3804000      0.8244000       2.222200    
 H   -2.696800     -0.7877000       1.994000    
 H  -0.2394000       1.223100      -2.066300    
 H    1.484700      -1.361600      -2.232500    
 H    1.334800      -1.732800       2.064300    
 H   -5.009600     -0.6318000      -2.394300    
 H   0.6991000       3.027500       2.460400    
 H   -5.090300      -1.031400       1.920600    
 H   0.8155000       3.376600      -1.858200    
 H    3.900300      -1.402300      -2.168400    
 H    3.769300      -1.775600       2.154600    
 H   -7.166800     -0.3000000       1.575600    
 H   -6.977600      -2.101700       1.412400    
 H   -8.343800      -1.261200      0.6872000    
 H    2.499100       4.737100      -1.329200    
 H   0.8650000       5.535800      -1.308600    
 H    2.228400       6.231400     -0.4389000    
 H    7.262300      -1.550200      -1.054800    
 H    5.857800      -1.439400      -2.038300    
 H    7.112800      -1.733800       1.042500    


%chk=000107454-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107454

0 1
O -6.584574 -0.539277 0.475085
O 1.406256 4.957676 -1.027763
N 6.472785 -1.509526 -0.178166
N 6.024192 -3.582915 0.988271
C -0.848688 -0.161442 0.299740
C -2.336560 -0.281894 0.310527
C -0.269467 1.164264 -0.083283
C -0.081819 -1.246260 0.687336
C 1.370109 -1.478225 0.588930
C -3.168505 0.833689 0.628697
C 0.712955 1.796993 0.733106
C -2.981684 -1.514719 0.016712
C -0.708592 1.854041 -1.242602
C 2.223177 -0.845954 -0.363877
C 1.958433 -2.461910 1.442189
C -4.566381 0.715986 0.678578
C 1.245059 3.051054 0.395322
C -4.385194 -1.651010 0.060655
C -0.176385 3.111805 -1.605449
C -5.183878 -0.529818 0.399211
C 0.807233 3.713047 -0.781238
C 4.175425 -2.104645 0.457447
C 3.594649 -1.154583 -0.426673
C 3.328762 -2.764112 1.385590
C 5.633568 -2.447503 0.437427
C -7.268557 -1.808048 0.212257
C 0.978187 5.691361 -2.221531
H -0.630192 -2.086739 1.137715
H -2.704907 1.798931 0.857671
H 1.051353 1.293620 1.644566
H -2.374784 -2.376874 -0.282001
H -1.474450 1.395125 -1.877858
H 1.801821 -0.127571 -1.072210
H 1.320345 -2.984404 2.165871
H -5.201104 1.568999 0.937337
H 1.992020 3.542294 1.026300
H -4.839354 -2.616180 -0.183555
H -0.533470 3.605012 -2.514491
H 4.199410 -0.680776 -1.209550
H 3.780085 -3.516192 2.039689
H -6.954359 -2.590534 0.930079
H -7.084851 -2.158084 -0.822230
H -8.338430 -1.590468 0.345116
H 1.198590 5.121652 -3.145379
H -0.102636 5.929242 -2.181943
H 1.563403 6.622532 -2.211564
H 7.469854 -1.695013 -0.261892
H 6.137488 -0.583596 -0.433345
H 7.055762 -3.721747 0.957676


