%chk=000159882.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159882

0 1
 O  -0.6748000      -1.281800      -1.720900    
 O  -0.7881000       2.521400      -1.821400    
 O   -1.521600       2.344900      0.2401000    
 N  -0.5524000     -0.2674000     -0.8146000    
 N   -5.350300     -0.7432000      0.3009000    
 N    3.432000     -0.1660000      0.6205000    
 N  -0.5884000       2.377500     -0.5939000    
 C   -1.550900     -0.4085000      0.2925000    
 C   0.8248000     -0.1969000     -0.3145000    
 C   -2.975500     -0.4685000     -0.2395000    
 C    1.431100       1.021300      8.1000002E-03
 C    1.523400      -1.399700     -0.1692000    
 C   -4.006000     -0.7003000      0.8663000    
 C    2.754800      0.9897000      0.4787000    
 C    2.843300      -1.336700      0.3084000    
 C   0.7527000       2.245100     -0.1282000    
 C   0.9387000      -2.638300     -0.4859000    
 C    3.364000       2.199300      0.8014000    
 C    3.544100      -2.530800      0.4551000    
 C    1.384400       3.440500      0.2013000    
 C    2.692700       3.417200      0.6672000    
 C    1.660900      -3.817700     -0.3302000    
 C   -5.840400      0.6103000      3.6100000E-02
 C   -6.264800      -1.447900       1.200500    
 C    2.966200      -3.763500      0.1413000    
 H  -0.7991000      0.5583000      -1.360400    
 H   -1.320200      -1.371800      0.7660000    
 H   -1.387600      0.3392000       1.067200    
 H   -3.179400      0.4609000     -0.7812000    
 H   -3.066100      -1.274800     -0.9787000    
 H   -3.763700      -1.664000       1.334000    
 H   -3.916400      5.9799999E-02   1.653100    
 H  -0.1033000      -2.851800     -0.6795000    
 H    4.388700       2.207500       1.168500    
 H    4.567800      -2.514900      0.8249000    
 H   0.8753000       4.396200      0.1027000    
 H    3.195200       4.344200      0.9274000    
 H    1.197000      -4.777700     -0.5367000    
 H   -5.227800       1.128800     -0.7074000    
 H   -5.876800       1.223800      0.9439000    
 H   -6.852000      0.5712000     -0.3848000    
 H   -5.937500      -2.482700       1.351600    
 H   -7.269100      -1.500300      0.7655000    
 H   -6.337300     -0.9608000       2.179700    
 H    3.535400      -4.678700      0.2754000    


%chk=000159882-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000159882

0 1
O -0.839464 -0.544522 -2.005789
O -0.237435 4.238504 -1.411898
O -1.220706 2.537712 -0.248101
N -0.710539 0.066747 -0.717170
N -5.462217 -1.175757 0.373008
N 3.390068 -0.199022 0.743960
N -0.152945 3.170605 -0.695858
C -1.666630 -0.505586 0.359505
C 0.721997 0.052056 -0.278070
C -3.108070 -0.450336 -0.160816
C 1.487677 1.247529 -0.049346
C 1.321700 -1.241831 -0.117895
C -4.083081 -1.027630 0.889276
C 2.868579 1.024283 0.438229
C 2.649621 -1.314093 0.468308
C 1.171083 2.657277 -0.298394
C 0.693468 -2.476368 -0.517127
C 3.786046 2.118563 0.623280
C 3.238640 -2.593700 0.758335
C 2.115702 3.682920 -0.157922
C 3.431790 3.422488 0.310454
C 1.300414 -3.699225 -0.241967
C -6.110843 0.110096 0.044411
C -6.298611 -2.002795 1.266454
C 2.569664 -3.766584 0.428090
H -1.033206 1.084886 -0.748892
H -1.352255 -1.536504 0.581360
H -1.528201 0.120500 1.261516
H -3.370426 0.598526 -0.397895
H -3.180214 -1.033550 -1.094534
H -3.732974 -2.036734 1.185489
H -4.054449 -0.389760 1.814641
H -0.223360 -2.415434 -1.112929
H 4.778573 1.851137 0.995674
H 4.232016 -2.593021 1.216333
H 1.802358 4.701329 -0.401783
H 4.139210 4.247716 0.430643
H 0.817744 -4.625646 -0.571762
H -5.548012 0.636999 -0.743773
H -6.199558 0.794169 0.927493
H -7.126787 -0.082585 -0.343132
H -5.826107 -2.991065 1.410966
H -7.288703 -2.162840 0.803612
H -6.461147 -1.545785 2.276601
H 3.022590 -4.741268 0.638714


