%chk=000128868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128868

0 1
 O    4.297100      -1.992800      0.2250000    
 O   -4.476800      0.9408000      0.2979000    
 O   -4.532000     -0.9820000     -0.9665000    
 N    3.622200      0.2400000     -7.9300001E-02
 N    2.260200      0.2450000     -0.2248000    
 N    1.649600     -0.3700000      0.6736000    
 C    4.372400      0.9430000      -1.100600    
 C    4.318000     -0.6933000      0.7918000    
 C    4.887500       2.274200     -0.5934000    
 C   0.2669000     -0.3145000      0.4311000    
 C   -2.472900     -0.2061000     -4.8400000E-02
 C  -0.3406000      -1.304700     -0.3355000    
 C  -0.4865000      0.7296000      0.9597000    
 C   -1.713500      -1.250200     -0.5759000    
 C   -1.859500      0.7838000      0.7195000    
 C   -3.904300     -0.1494000     -0.2986000    
 C   -5.888100       1.106700      0.1245000    
 H    5.200100      0.3090000      -1.436900    
 H    3.722000       1.109600      -1.967600    
 H    5.355700     -0.3716000      0.9263000    
 H    3.843700     -0.7195000       1.777300    
 H    4.061600       2.917200     -0.2713000    
 H    5.556800       2.138700      0.2625000    
 H    5.440600       2.795200      -1.380700    
 H   0.2436000      -2.122400     -0.7493000    
 H  -1.6200000E-02   1.504200       1.559600    
 H   -2.171500      -2.031700      -1.176500    
 H   -2.410400       1.615000       1.150400    
 H    4.605300      -1.907000     -0.6927000    
 H   -6.423100      0.2527000      0.5503000    
 H   -6.126500       1.222100     -0.9369000    
 H   -6.192100       2.012900      0.6547000    


%chk=000128868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128868

0 1
O 4.528912 -2.007507 -1.063155
O -4.555402 1.083854 -0.166389
O -4.798345 -1.119632 0.553670
N 3.727422 0.216050 -0.371275
N 2.368810 0.413083 -0.367031
N 1.676321 -0.631291 0.023044
C 4.519564 1.415747 -0.714867
C 4.374532 -1.041607 0.026980
C 4.935641 2.241694 0.521468
C 0.264233 -0.411200 0.030452
C -2.565637 -0.221125 0.133219
C -0.517147 -1.529036 0.431625
C -0.385786 0.808677 -0.323209
C -1.917969 -1.435418 0.482635
C -1.785273 0.897883 -0.270599
C -4.049176 -0.171536 0.205294
C -6.028943 1.207141 -0.118748
H 5.415816 1.092089 -1.278017
H 3.901875 2.027468 -1.393316
H 5.354743 -0.782499 0.474222
H 3.726568 -1.555645 0.750815
H 4.041849 2.588089 1.068517
H 5.558606 1.648327 1.215354
H 5.520134 3.126610 0.210382
H 0.002398 -2.456178 0.692878
H 0.219838 1.664981 -0.633342
H -2.532094 -2.288327 0.788823
H -2.294909 1.827715 -0.538449
H 5.112495 -1.626191 -1.768133
H -6.397505 1.016794 0.903553
H -6.497016 0.484152 -0.808238
H -6.235257 2.241339 -0.428866


