%chk=000010510.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010510

0 1
 O   0.2349000      0.7040000      -2.388600    
 O  -8.6099997E-02  -2.935800      0.1098000    
 N   -2.032600       2.004900       1.242600    
 N    1.985500      -2.072500      0.6950000    
 C  -0.5925000      0.1849000      0.6725000    
 C   -2.066600     -0.2666000      0.5362000    
 C   -2.311100      6.8800002E-02 -0.9645000    
 C  -0.9654000       1.638200      0.2820000    
 C   -1.711800       1.499200      -1.073700    
 C   0.4330000     -0.5138000     -0.2735000    
 C  -3.1300001E-02 -0.5517000      -1.754700    
 C   -1.526300     -0.8835000      -1.880800    
 C   -2.791300      0.7587000       1.442300    
 C  -0.8022000       1.671700      -2.285600    
 C   -2.447200      -1.642900      0.9598000    
 C    1.833800      6.8999998E-02 -6.6500001E-02
 C   0.6894000      -1.995000      0.1931000    
 C   -1.509500       2.547900       2.490700    
 C    2.664400     -0.8795000      0.5287000    
 C    2.354600       1.322800     -0.3511000    
 C   -3.493100      -2.315200      0.4672000    
 C    3.984800     -0.6376000      0.8632000    
 C    3.688800       1.598300     -2.4700001E-02
 C    4.497600      0.6256000      0.5807000    
 H  -0.2468000      0.1068000       1.712400    
 H   -3.374500      7.1000002E-02  -1.228200    
 H  -0.1590000       2.372700      0.2622000    
 H   -2.514000       2.245600      -1.152600    
 H   0.5499000      -1.297300      -2.310700    
 H   -1.718900      -1.933700      -1.648200    
 H   -1.851200     -0.7333000      -2.918300    
 H   -3.835900      0.8998000       1.141400    
 H   -2.783700      0.4392000       2.493000    
 H   -1.395800       1.620900      -3.206100    
 H  -0.3325000       2.661100      -2.273500    
 H   -1.893200      -2.090100       1.781300    
 H  -0.9525000       3.471400       2.298200    
 H  -0.8477000       1.854800       3.020400    
 H   -2.334300       2.811800       3.161900    
 H    2.409200      -2.910900       1.075000    
 H    1.762000       2.098600     -0.8200000    
 H   -3.736300      -3.298700      0.8557000    
 H   -4.131700      -1.916700     -0.3118000    
 H    4.605500      -1.399200       1.321800    
 H    4.103200       2.578900     -0.2435000    
 H    5.530000      0.8592000      0.8249000    


%chk=000010510-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000010510

0 1
O 0.250020 0.786915 -2.420814
O -0.093426 -2.995138 0.051034
N -1.966102 2.026678 1.287327
N 1.968049 -2.086744 0.723695
C -0.589064 0.162784 0.629842
C -2.088912 -0.306457 0.501955
C -2.331098 0.055283 -1.000730
C -0.950077 1.651273 0.259037
C -1.738617 1.516995 -1.086914
C 0.465930 -0.533202 -0.301883
C -0.015385 -0.531915 -1.803520
C -1.509176 -0.899189 -1.909234
C -2.801065 0.780469 1.406617
C -0.896356 1.717495 -2.349375
C -2.516050 -1.675500 0.972107
C 1.859298 0.073560 -0.082525
C 0.687134 -2.012593 0.161921
C -1.418241 2.528442 2.564218
C 2.689975 -0.878842 0.571737
C 2.393201 1.338195 -0.386208
C -3.606775 -2.349603 0.527949
C 4.015301 -0.604268 0.950951
C 3.731644 1.637744 -0.019580
C 4.529918 0.680573 0.647792
H -0.228358 0.103868 1.675150
H -3.401817 0.027280 -1.269139
H -0.119593 2.371761 0.235226
H -2.540759 2.276837 -1.077605
H 0.614784 -1.232207 -2.378701
H -1.658466 -1.947921 -1.599782
H -1.817882 -0.807886 -2.967349
H -3.838646 0.941987 1.056589
H -2.847824 0.432395 2.457749
H -1.530620 1.588640 -3.251618
H -0.449483 2.728040 -2.385342
H -1.925116 -2.109831 1.790918
H -0.816956 3.435034 2.372736
H -0.777118 1.798634 3.117314
H -2.252951 2.813771 3.228989
H 2.346376 -2.959761 1.091601
H 1.798751 2.070220 -0.936559
H -3.889624 -3.315803 0.958557
H -4.231274 -1.978106 -0.293582
H 4.635319 -1.353894 1.454404
H 4.152211 2.618520 -0.265786
H 5.560518 0.927266 0.926235


