%chk=000008590.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008590

0 1
 O   0.5722000     -0.9650000       1.826000    
 N    4.416000      0.5375000      4.7100000E-02
 N  -0.1988000     -0.1050000     -9.3000002E-02
 N  -0.6872000      -1.541800       1.618700    
 C   -2.369400      -1.302600     -0.1495000    
 C    3.146500     -0.1884000      3.5100002E-02
 C    2.055300      0.6007000      0.7614000    
 C   -2.313300      -1.961000      -1.566400    
 C   -1.077200     -0.9856000      0.4680000    
 C   -3.214800     -1.9500000E-02 -0.1102000    
 C    5.463300     -0.2534000     -0.5979000    
 C    4.270600       1.832200     -0.6173000    
 C   0.7478000     -0.1521000      0.7734000    
 C   -1.453600      -3.220200      -1.574300    
 C    5.628200      -1.603000      8.0100000E-02
 C    5.564400       2.626700     -0.5605000    
 C   -3.857000      0.3024000       1.059600    
 C   -3.289300      0.7474000      -1.246300    
 C   -4.624000       1.466900       1.095500    
 C   -4.056200       1.912000      -1.210200    
 C   -4.723500       2.271600     -3.9299998E-02
 H   -2.891500      -2.038200      0.4821000    
 H    2.827000     -0.4171000     -0.9909000    
 H    3.230300      -1.143500      0.5651000    
 H    1.829600       1.552000      0.2701000    
 H    2.357500      0.8236000       1.792100    
 H   -3.327700      -2.202200      -1.906200    
 H   -1.865400      -1.288600      -2.305500    
 H    5.267100     -0.4005000      -1.667500    
 H    6.434000      0.2445000     -0.5052000    
 H    3.942600       1.727300      -1.659000    
 H    3.542100       2.463200     -0.1016000    
 H   -1.815600      -3.946400     -0.8396000    
 H  -0.4053000      -2.996000      -1.354100    
 H   -1.490800      -3.692100      -2.561500    
 H    5.678500      -1.509200       1.170400    
 H    4.831600      -2.305500     -0.1836000    
 H    6.566700      -2.064100     -0.2488000    
 H    5.370700       3.665400     -0.8519000    
 H    6.320100       2.246000      -1.254400    
 H    5.986000       2.645700      0.4505000    
 H   -3.784600     -0.3192000       1.946500    
 H   -2.771300      0.5226000      -2.169200    
 H   -5.143400       1.747300       2.007200    
 H   -4.129800       2.542300      -2.091800    
 H   -5.319500       3.179100     -1.0900000E-02


%chk=000008590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000008590

0 1
O 0.704849 -1.147428 1.714037
N 4.544015 0.392122 -0.318569
N -0.164523 -0.076986 -0.091482
N -0.659992 -1.688937 1.510790
C -2.468919 -1.231144 -0.147267
C 3.259849 -0.331771 -0.206622
C 2.222790 0.492223 0.621193
C -2.365044 -1.597057 -1.662925
C -1.095661 -0.999529 0.434155
C -3.399993 -0.029759 0.070499
C 5.731991 -0.504568 -0.302753
C 4.556428 1.373434 -1.438170
C 0.897909 -0.188610 0.702970
C -1.571250 -2.893223 -1.924581
C 6.042358 -1.062522 1.099178
C 5.540611 2.536891 -1.213001
C -4.670929 -0.224362 0.666118
C -3.036114 1.273253 -0.359072
C -5.567520 0.856816 0.826488
C -3.930451 2.354084 -0.196951
C -5.199852 2.151150 0.393703
H -2.893130 -2.101459 0.389186
H 2.819398 -0.569661 -1.204630
H 3.429106 -1.293378 0.308782
H 2.074669 1.479318 0.151432
H 2.636919 0.649773 1.630749
H -3.395615 -1.697236 -2.053210
H -1.897500 -0.749688 -2.198296
H 5.617889 -1.346634 -1.031290
H 6.600074 0.087300 -0.644389
H 4.778657 0.871326 -2.413800
H 3.536312 1.791152 -1.532312
H -2.022481 -3.754107 -1.396475
H -0.524000 -2.801314 -1.582831
H -1.553586 -3.128957 -3.004080
H 6.220658 -0.233682 1.805971
H 5.211722 -1.674439 1.495732
H 6.942887 -1.703942 1.068709
H 5.489003 3.252924 -2.054399
H 6.586051 2.186938 -1.137935
H 5.293346 3.069523 -0.278304
H -4.959611 -1.226007 1.008526
H -2.047373 1.436692 -0.801629
H -6.546299 0.689540 1.290333
H -3.636893 3.356439 -0.529654
H -5.891854 2.991703 0.518377


