%chk=000039890.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039890

0 1
 O   -2.126800     -0.3667000      0.1396000    
 O  -0.8261000      -1.419100      -1.441000    
 N    3.239700     -0.3015000      -1.857600    
 N   -5.690600      -1.302300     -1.7200001E-02
 C   0.2223000      9.1600001E-02  0.1606000    
 C    1.549400     -0.1908000     -0.4232000    
 C    2.641800     -0.8317000      0.2253000    
 C    3.689500     -0.8885000     -0.6964000    
 C   6.3299999E-02   1.613200      0.1954000    
 C    1.947500      0.1233000      -1.702300    
 C  -0.9502000     -0.6434000     -0.5015000    
 C    2.840600      -1.370500       1.511900    
 C    4.930900      -1.459600     -0.3945000    
 C   0.6417000       2.312400       1.229800    
 C  -0.6524000       2.224000     -0.8085000    
 C   -3.278700      -1.056900     -0.3552000    
 C   -4.489100     -0.6363000      0.4631000    
 C    4.077200      -1.944900       1.828200    
 C    5.104900      -1.987600      0.8880000    
 C   0.4964000       3.699400       1.261900    
 C  -0.7976000       3.610900     -0.7765000    
 C  -0.2233000       4.348500      0.2588000    
 C   -6.864200     -0.8660000      0.7434000    
 C   -5.546000      -2.757600      6.7800000E-02
 H   0.2016000     -0.2692000       1.199100    
 H    1.432100      0.6060000      -2.521100    
 H    3.784900     -0.2002000      -2.702500    
 H    2.052800      -1.346900       2.259300    
 H    5.731600      -1.493300      -1.125600    
 H    1.202300       1.814500       2.014800    
 H   -1.095400       1.675700      -1.633400    
 H   -3.423100     -0.8046000      -1.412800    
 H   -3.072100      -2.127300     -0.2598000    
 H   -4.303900     -0.8399000       1.526700    
 H   -4.599100      0.4529000      0.3802000    
 H    4.236300      -2.362000       2.819100    
 H    6.057300      -2.438400       1.154800    
 H   0.9436000       4.273800       2.067900    
 H   -1.354700       4.117100      -1.559400    
 H  -0.3357000       5.428500      0.2832000    
 H   -6.994600      0.2188000      0.6601000    
 H   -6.787200      -1.124200       1.805900    
 H   -7.776000      -1.321700      0.3413000    
 H   -6.502800      -3.248600     -0.1486000    
 H   -5.220600      -3.089100       1.060600    
 H   -4.856100      -3.144200     -0.6885000    


%chk=000039890-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039890

0 1
O -2.177004 -0.548213 0.180948
O -1.306071 -0.299753 -1.962366
N 2.888569 -1.443065 -2.032545
N -5.810783 -1.463207 0.294206
C 0.137450 0.067528 0.043834
C 1.383135 -0.513143 -0.589708
C 2.661034 -0.642062 0.092345
C 3.587068 -1.234972 -0.837032
C 0.181097 1.606241 0.206755
C 1.563958 -1.006581 -1.882282
C -1.145794 -0.281038 -0.720616
C 3.111433 -0.316764 1.399093
C 4.928836 -1.513227 -0.495241
C -0.370542 2.207830 1.364619
C 0.735966 2.429451 -0.802505
C -3.524840 -0.799524 -0.412359
C -4.422616 -1.229678 0.753999
C 4.448075 -0.591692 1.746835
C 5.346879 -1.184613 0.810589
C -0.360744 3.612456 1.517184
C 0.743541 3.833863 -0.652766
C 0.196743 4.430547 0.507369
C -6.799805 -1.327852 1.383169
C -5.977293 -2.733784 -0.442386
H 0.012609 -0.362018 1.055227
H 0.843219 -1.069285 -2.693679
H 3.274168 -1.855662 -2.878558
H 2.434451 0.151571 2.122390
H 5.623988 -1.965800 -1.211472
H -0.812016 1.574666 2.144082
H 1.169092 1.964314 -1.694834
H -3.894329 0.130399 -0.877455
H -3.423857 -1.570657 -1.195930
H -3.976662 -2.125565 1.254191
H -4.433160 -0.413346 1.498630
H 4.810562 -0.344616 2.750850
H 6.381251 -1.385309 1.111677
H -0.784582 4.066762 2.420028
H 1.177705 4.462470 -1.438564
H 0.207115 5.520129 0.624187
H -6.708446 -0.331291 1.849914
H -6.689007 -2.100214 2.186334
H -7.819578 -1.416419 0.967442
H -7.012009 -2.805371 -0.821805
H -5.776340 -3.635652 0.190761
H -5.301065 -2.770256 -1.313353


