%chk=000130468.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130468

0 1
 O    1.008200       1.086900      0.2135000    
 O   -2.822500     -0.4657000      0.1985000    
 O   0.1050000       2.258900      -1.643500    
 O    1.917400      -1.132400       1.652900    
 O    3.537900     -0.2205000      -1.500200    
 O  -0.6525000       4.196200      7.3100001E-02
 O    1.190600       3.469500       1.200600    
 O    5.842000     -0.4846000     -1.3800000E-02
 O   -1.896800      -3.157300       1.113700    
 O   -4.132500      0.9019000      -1.124400    
 N  -0.5734000      -2.190200     -0.5391000    
 C  -0.4359000     -0.8812000      5.9200000E-02
 C   0.9101000     -0.2402000     -0.3172000    
 C   -1.605000      1.7100001E-02 -0.3649000    
 C   -1.392900       1.448500      0.1242000    
 C  -7.7000000E-03   1.964000     -0.2590000    
 C    2.095200      -1.022600      0.2433000    
 C    3.445200     -0.3696000     -7.8699999E-02
 C   0.2675000       3.265400      0.4261000    
 C    4.658900      -1.180800      0.3691000    
 C   -1.295200      -3.216500      4.4599999E-02
 C   -3.940300      0.2591000     -0.1013000    
 C   -1.297200      -4.462600     -0.7998000    
 C   -4.925900      0.1566000       1.023100    
 H  -0.5055000      -1.002900       1.148300    
 H   0.9997000     -0.1867000      -1.410200    
 H   -1.694900     -4.6999999E-03  -1.459500    
 H   -1.511100       1.468100       1.216900    
 H   -2.161200       2.117400     -0.2788000    
 H    2.084700      -2.037900     -0.1703000    
 H    3.512000      0.6323000      0.3620000    
 H  -0.1752000      -2.335000      -1.462800    
 H    4.667100      -1.316500       1.454600    
 H    4.676900      -2.159500     -0.1213000    
 H  -0.6720000       1.906900      -2.107700    
 H    1.936400     -0.2338000       2.024400    
 H    4.387400      0.2119000      -1.693100    
 H   -1.654400      -5.308500     -0.2060000    
 H   -1.959200      -4.319000      -1.658100    
 H  -0.2861000      -4.686000      -1.152300    
 H  -0.4905000       5.057400      0.5140000    
 H    6.596300      -1.023000      0.2806000    
 H   -4.488400      0.5666000       1.936900    
 H   -5.214700     -0.8874000       1.168600    
 H   -5.820700      0.7345000      0.7751000    


%chk=000130468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130468

0 1
O 0.859182 1.695181 0.821010
O -2.940433 0.009715 0.220037
O -0.010027 2.985429 -1.021232
O 3.022744 0.453605 1.371451
O 2.102502 -1.686634 -1.506241
O 0.988926 4.651982 0.815596
O -0.678550 4.069144 2.334513
O 4.692388 -2.280594 -1.432179
O -1.824621 -2.734786 1.222620
O -3.247978 -0.984814 -1.877653
N -0.417639 -1.649552 -0.295225
C -0.482782 -0.332035 0.343885
C 0.857818 0.405349 0.085318
C -1.631152 0.576824 -0.180390
C -1.588058 1.961889 0.490888
C -0.209695 2.614876 0.357143
C 2.118299 -0.380744 0.577380
C 2.960081 -0.882567 -0.613139
C -0.032625 3.827302 1.302270
C 4.147807 -1.740846 -0.166379
C -1.062023 -2.767871 0.205416
C -3.612888 -0.824884 -0.692650
C -0.811208 -4.048639 -0.586147
C -4.783870 -1.480435 -0.003074
H -0.631422 -0.476141 1.433022
H 0.947481 0.632582 -0.996058
H -1.583597 0.643741 -1.283251
H -1.822862 1.853416 1.563250
H -2.347783 2.620718 0.038870
H 1.786145 -1.240682 1.194039
H 3.340026 -0.000192 -1.168644
H 0.291313 -1.773093 -1.037037
H 4.883154 -1.113983 0.368680
H 3.801406 -2.564871 0.490971
H 0.785935 3.578502 -1.077815
H 2.523362 1.283634 1.604193
H 2.723499 -2.188485 -2.100286
H -0.806607 -4.905321 0.106358
H -1.637510 -4.198177 -1.305260
H 0.137146 -4.021040 -1.150648
H 1.129886 5.430315 1.417851
H 5.460883 -2.874881 -1.255477
H -5.337528 -0.750399 0.609631
H -4.383379 -2.252064 0.680390
H -5.448945 -1.946376 -0.744696


