%chk=000104296.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104296

0 1
 O   -1.843300       2.833400      0.3646000    
 O   0.4351000       2.355100       1.538400    
 O    2.132800       1.218300      -2.797100    
 O    1.112400       2.626100      -1.333200    
 O    5.711700      -2.259200      0.9796000    
 O    5.989000      -1.387000      -1.101000    
 N   -4.584700      -1.067400     -0.2542000    
 C   -3.337700     -0.4864000      5.6499999E-02
 C   -4.742400      -2.508100     -0.2593000    
 C   -5.728600     -0.2309000     -0.5588000    
 C  -0.9032000      0.6481000      0.6634000    
 C   -3.195800      0.9012000      5.9000000E-02
 C   -2.246200      -1.299600      0.3614000    
 C   -1.962500       1.475700      0.3666000    
 C   -1.012800     -0.7251000      0.6687000    
 C   -4.245300      -3.110200      -1.562600    
 C   -6.390000      0.2783000      0.7107000    
 C   0.4253000       1.242100      0.9954000    
 C    1.678900      0.5593000      0.7027000    
 C    2.336500      0.7409000     -0.5140000    
 C    2.219900     -0.2902000       1.667800    
 C    3.535000      7.2999999E-02 -0.7654000    
 C    4.075800     -0.7768000      0.1996000    
 C    3.418200     -0.9584000       1.416200    
 C    1.797300       1.621500      -1.542200    
 C    5.324900      -1.473700     -6.2799998E-02
 H   -5.806700      -2.760200     -0.1610000    
 H   -4.277000      -2.986100      0.6102000    
 H   -6.474700     -0.8199000      -1.108900    
 H   -5.483600      0.5877000      -1.245000    
 H   -4.013300       1.575800     -0.1711000    
 H   -2.290300      -2.382800      0.3797000    
 H  -0.1887000      -1.387300      0.9080000    
 H   -4.786200      -2.688000      -2.416700    
 H   -3.179300      -2.932900      -1.730100    
 H   -4.409000      -4.192600      -1.563300    
 H   -6.713000     -0.5563000       1.342700    
 H   -5.724100      0.9049000       1.310400    
 H   -7.274800      0.8727000      0.4613000    
 H    1.719200     -0.4380000       2.621500    
 H    4.064300      0.2175000      -1.704300    
 H    3.803800      -1.609800       2.195400    
 H   -2.699700       3.230500      0.1314000    
 H    1.766400       1.816400      -3.483000    
 H    6.555100      -2.724100      0.7928000    


%chk=000104296-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104296

0 1
O -2.012055 2.933762 0.856713
O 0.727012 2.720596 0.568205
O 3.269705 1.264191 -2.994899
O 1.045999 1.554607 -2.399760
O 5.719605 -2.137818 1.789448
O 6.315172 -1.626019 -0.396403
N -4.683170 -1.036949 -0.164944
C -3.442795 -0.420688 -0.014649
C -4.801687 -2.485054 -0.443218
C -5.947826 -0.277449 -0.078480
C -0.855428 0.877589 0.277233
C -3.333653 0.956437 0.352913
C -2.217427 -1.141760 -0.222151
C -2.081514 1.589526 0.487256
C -0.986961 -0.498468 -0.073922
C -4.724633 -2.834184 -1.947841
C -6.497550 -0.153155 1.362171
C 0.478724 1.492495 0.363364
C 1.707672 0.576970 0.309636
C 2.595658 0.527452 -0.807394
C 2.081022 -0.090552 1.503765
C 3.826288 -0.161047 -0.708165
C 4.184469 -0.819817 0.490787
C 3.300916 -0.785773 1.600857
C 2.196068 1.161098 -2.095883
C 5.485228 -1.536273 0.540062
H -5.771783 -2.825521 -0.034884
H -4.023827 -3.032392 0.119260
H -6.693126 -0.792850 -0.712809
H -5.807452 0.723736 -0.526367
H -4.233987 1.546851 0.557643
H -2.231465 -2.191010 -0.524918
H -0.072865 -1.072456 -0.260414
H -5.530535 -2.330114 -2.511354
H -3.760372 -2.517726 -2.381296
H -4.832699 -3.924488 -2.096802
H -6.697935 -1.150579 1.793212
H -5.776904 0.359501 2.022652
H -7.444047 0.418548 1.367560
H 1.407303 -0.048790 2.366059
H 4.506209 -0.193034 -1.563890
H 3.581987 -1.298573 2.524787
H -2.923644 3.313598 0.949658
H 2.941837 1.686526 -3.833591
H 6.603165 -2.593444 1.760791


