%chk=000130308.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130308

0 1
 O    3.197100      -1.206600     -0.9109000    
 O    2.354300       1.588500     -0.2805000    
 O    2.622900      -1.565500       1.339300    
 O   0.4964000      -1.280600      -1.029300    
 O    5.316200     -0.1012000       1.006500    
 O   0.4236000       1.541500      -1.519300    
 N   -2.920200       1.641600      0.3051000    
 C    2.482400     -0.6980000      0.2286000    
 C    1.037700     -0.3546000     -0.1130000    
 C    3.085200      0.6596000      0.5361000    
 C    4.502600      0.5365000      2.9800000E-02
 C   0.1095000     -0.2371000       1.096500    
 C    4.350500     -0.3876000      -1.161300    
 C    1.199000       1.011900     -0.7385000    
 C   -1.245500      0.2744000      0.7228000    
 C   -2.353300     -0.5157000      0.3459000    
 C   -1.608200       1.590000      0.6927000    
 C   -3.401100      0.3704000      8.6400002E-02
 C   -2.581300      -1.898100      0.1960000    
 C   -4.670600     -5.8600001E-02 -0.3172000    
 C   -3.677600       2.865200      0.1506000    
 C   -3.846100      -2.341700     -0.2071000    
 C   -4.873200      -1.434300     -0.4591000    
 H    3.020200      0.9566000       1.588100    
 H    4.960800       1.491400     -0.2441000    
 H   0.5391000      0.4286000       1.856800    
 H  -1.0900000E-02  -1.217400       1.574800    
 H    4.148600      0.1779000      -2.077000    
 H    5.214100      -1.038000      -1.327000    
 H    1.981100      -2.287400       1.231000    
 H    1.136700      -1.403300      -1.750800    
 H    6.204600     -0.2043000      0.6246000    
 H   -1.053000       2.491700      0.9159000    
 H   -1.792900      -2.620100      0.3887000    
 H   -5.474500      0.6425000     -0.5150000    
 H   -4.528400       2.832900      0.8360000    
 H   -3.042900       3.722700      0.3884000    
 H   -4.016500       2.932200     -0.8864000    
 H   -4.027700      -3.406800     -0.3243000    
 H   -5.847900      -1.800900     -0.7711000    


%chk=000130308-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130308

0 1
O 3.198323 -1.412877 -0.769612
O 2.287542 1.533000 -0.565111
O 2.732917 -1.325344 1.592230
O 0.546744 -1.662114 -0.848597
O 5.581429 0.898892 0.646551
O 0.411986 1.192430 -1.896948
N -3.074386 1.693517 0.603786
C 2.514701 -0.691326 0.325735
C 1.040186 -0.503420 -0.132170
C 3.160881 0.709032 0.321263
C 4.553976 0.552987 -0.335895
C 0.086516 -0.261047 1.079094
C 4.610785 -0.948742 -0.746997
C 1.146702 0.781128 -0.997386
C -1.287333 0.258640 0.746786
C -2.419045 -0.470359 0.198986
C -1.730546 1.562418 0.977332
C -3.521771 0.453698 0.125321
C -2.615061 -1.807654 -0.235483
C -4.796548 0.078155 -0.354749
C -3.880779 2.911200 0.676488
C -3.885336 -2.190176 -0.708013
C -4.965018 -1.259096 -0.766954
H 3.227757 1.175318 1.313705
H 4.587858 1.222321 -1.216832
H 0.592237 0.430297 1.777755
H 0.015063 -1.237739 1.596369
H 5.016917 -1.138345 -1.752370
H 5.176869 -1.508518 0.020389
H 2.327729 -2.230771 1.567470
H 1.203398 -1.885329 -1.560989
H 6.408856 1.182508 0.185838
H -1.182366 2.413760 1.379884
H -1.778555 -2.512441 -0.229162
H -5.625592 0.792147 -0.410453
H -4.776122 2.756225 1.307116
H -3.280648 3.722431 1.118478
H -4.209441 3.230225 -0.330170
H -4.050420 -3.218767 -1.048413
H -5.939603 -1.587966 -1.145574


