%chk=000060519.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060519

0 1
 O    5.473100      -1.891500     -0.4013000    
 O   -2.854800     -0.3675000      0.4445000    
 N    3.488900      0.9840000      0.1333000    
 C    5.947500      0.4868000     -0.1245000    
 C    5.465400       1.452500      -1.231800    
 C    5.659600       1.123600       1.254900    
 C    3.967900       1.787300      -1.022300    
 C    4.154600       1.469600       1.370700    
 C    5.056700     -0.7570000     -0.2195000    
 C    3.603300     -0.3976000     -5.9000000E-02
 C    2.640900      -1.321500     -0.1065000    
 C    1.195400      -1.071100      3.9000001E-02
 C   0.6188000      -1.135900       1.296600    
 C   0.4431000     -0.7754000      -1.085900    
 C  -0.7488000     -0.8985000       1.433300    
 C  -0.9246000     -0.5379000     -0.9492000    
 C   -1.520700     -0.5993000      0.3105000    
 C   -3.584600     -6.7199998E-02 -0.7442000    
 C   -5.019900      0.1857000     -0.3870000    
 C   -5.921800     -0.8724000     -0.3698000    
 C   -5.435100       1.475900     -7.5999998E-02
 C   -7.256000     -0.6374000     -3.7599999E-02
 C   -6.769300       1.710700      0.2562000    
 C   -7.679600      0.6540000      0.2755000    
 H    7.000500      0.2180000     -0.2424000    
 H    5.600000      0.9942000      -2.219200    
 H    6.057000       2.375100      -1.222700    
 H    6.260700       2.029500       1.393800    
 H    5.935000      0.4289000       2.057900    
 H    3.829600       2.857900     -0.8315000    
 H    3.388100       1.542900      -1.920600    
 H    3.714300      0.9883000       2.252400    
 H    4.009700       2.549900       1.488000    
 H    2.892500      -2.368100     -0.2633000    
 H    1.209800      -1.367500       2.178700    
 H   0.8974000     -0.7254000      -2.072000    
 H   -1.207600     -0.9477000       2.417100    
 H   -1.460700     -0.3140000      -1.864800    
 H   -3.540800     -0.9071000      -1.450400    
 H   -3.187100      0.8335000      -1.230800    
 H   -5.602400      -1.882900     -0.6094000    
 H   -4.734300       2.306200     -8.5100003E-02
 H   -7.964900      -1.460200     -2.1900000E-02
 H   -7.099300       2.716000      0.5007000    
 H   -8.718400      0.8370000      0.5346000    


%chk=000060519-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000060519

0 1
O 5.499174 -1.420837 1.555154
O -3.013307 -0.569817 0.423740
N 3.590312 0.946599 -0.524021
C 6.088550 0.422110 0.007044
C 5.822558 0.252415 -1.521294
C 5.757322 1.892393 0.408132
C 4.307932 0.576037 -1.795924
C 4.246909 2.165455 0.067761
C 5.125876 -0.504034 0.761835
C 3.709512 -0.169010 0.424706
C 2.657545 -0.871197 0.963101
C 1.217375 -0.727168 0.773378
C 0.348400 -1.631811 1.462025
C 0.619160 0.263379 -0.061702
C -1.044182 -1.556095 1.327422
C -0.777478 0.350801 -0.204032
C -1.616102 -0.560719 0.492853
C -3.668615 0.463255 -0.402530
C -5.170040 0.311798 -0.262797
C -6.010143 0.634560 -1.356572
C -5.752509 -0.102969 0.960058
C -7.415496 0.559241 -1.227705
C -7.156789 -0.187844 1.085697
C -7.993104 0.147537 -0.004853
H 7.127782 0.159815 0.264857
H 6.072388 -0.775718 -1.838704
H 6.485358 0.941225 -2.079066
H 6.423370 2.576505 -0.151482
H 5.955461 2.045416 1.484033
H 4.198783 1.423593 -2.496813
H 3.787321 -0.291635 -2.235021
H 3.679231 2.449519 0.969929
H 4.142781 2.985155 -0.666166
H 2.974605 -1.674243 1.647013
H 0.784293 -2.402512 2.109235
H 1.287433 0.951516 -0.589587
H -1.709906 -2.248860 1.850609
H -1.200409 1.121096 -0.855711
H -3.358630 0.350761 -1.460960
H -3.337591 1.462166 -0.045802
H -5.568659 0.942170 -2.313083
H -5.100740 -0.373907 1.796341
H -8.055500 0.811404 -2.080546
H -7.598832 -0.515850 2.033221
H -9.082298 0.082704 0.095224


