%chk=000287098.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287098

0 1
O 1.490361 1.123095 -1.154603
O 0.982205 3.809212 0.564678
O -0.965396 3.067249 -0.418250
O -1.428456 -1.002574 -1.080266
O -3.575266 -1.297162 -0.894452
O 5.162064 -3.195165 1.916938
O -2.432453 -0.250512 0.848551
N 2.762931 0.653781 0.766563
N 3.768031 -0.478636 2.493213
N 3.255306 -1.026656 -1.062160
N 4.562386 -2.926816 -0.280462
N 4.140461 -2.637965 -2.605388
C 0.947923 2.406025 0.810290
C -0.369867 1.902270 0.157814
C 2.091918 1.727756 0.003848
C 0.060671 0.911921 -0.945133
C -0.013990 4.170503 -0.449302
C -0.134655 -0.561074 -0.573760
C 0.644781 4.260120 -1.808048
C -0.734269 5.404080 0.038792
C 3.305199 -0.528044 0.242705
C 3.092350 0.625822 2.173045
C 3.917078 -1.217344 1.318490
C 4.609446 -2.503411 1.106432
C 4.008338 -2.244214 -1.251877
C -2.494208 -0.783730 -0.232326
C -4.870215 -1.252646 -0.316785
C -5.170199 -0.846172 0.980162
C -5.833615 -1.703305 -1.231548
C -6.512534 -0.897452 1.377542
C -7.160598 -1.743759 -0.804550
C -7.500584 -1.342082 0.495207
H 1.014374 2.291514 1.908453
H -1.140507 1.497301 0.854324
H 2.838413 2.451978 -0.409737
H -0.394922 1.156127 -1.933202
H -0.046521 -0.769201 0.508572
H 0.555277 -1.223445 -1.136699
H -0.072831 4.577114 -2.576714
H 1.472345 4.981474 -1.803557
H 1.054526 3.291805 -2.130262
H -0.797735 5.415057 1.138232
H -0.233306 6.329469 -0.269098
H -1.766843 5.428315 -0.341026
H 2.817969 1.431709 2.835993
H 2.953701 -0.422681 -1.829561
H 3.304553 -2.597685 -3.176313
H 4.639444 -3.522950 -2.727747
H -4.397019 -0.496329 1.668999
H -5.539419 -2.009585 -2.233849
H -6.781519 -0.586236 2.387789
H -7.936532 -2.090063 -1.488003
H -8.540391 -1.378003 0.816745


%chk=000287098-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287098

0 1
O 1.543865 1.137681 -1.243762
O 1.069195 3.848721 0.481379
O -0.929968 3.191572 -0.582284
O -1.574656 -0.923808 -1.149271
O -3.726445 -1.252767 -0.811852
O 4.850827 -3.478059 1.957620
O -2.433323 -0.368681 0.965702
N 2.555280 0.457666 0.829674
N 3.250993 -0.861715 2.573970
N 3.547082 -0.882178 -1.037187
N 4.750298 -2.857505 -0.310240
N 4.614478 -2.320677 -2.586465
C 0.945725 2.413324 0.721476
C -0.369905 1.963084 -0.007394
C 2.089168 1.617819 0.040044
C 0.069189 0.928063 -1.073121
C 0.106001 4.258113 -0.592139
C -0.207201 -0.547341 -0.704687
C 0.815043 4.329902 -1.951402
C -0.551365 5.563842 -0.158636
C 3.270200 -0.612378 0.293788
C 2.591009 0.251067 2.242469
C 3.687825 -1.425709 1.356816
C 4.459046 -2.658792 1.086201
C 4.321272 -2.045462 -1.262048
C -2.581759 -0.802467 -0.198792
C -5.019533 -1.286247 -0.180973
C -5.284164 -0.933639 1.160002
C -6.034269 -1.728928 -1.055134
C -6.619423 -1.033538 1.618073
C -7.357334 -1.820420 -0.575943
C -7.654833 -1.472376 0.763276
H 0.909145 2.264833 1.810632
H -1.128842 1.547721 0.673152
H 2.935745 2.278470 -0.214450
H -0.389574 1.150853 -2.050688
H -0.094723 -0.748111 0.375215
H 0.453176 -1.207624 -1.287116
H 0.086263 4.599198 -2.735407
H 1.602170 5.103004 -1.921744
H 1.274967 3.361589 -2.210489
H -1.032808 5.431975 0.822972
H 0.204858 6.363423 -0.085589
H -1.315173 5.863976 -0.895749
H 2.139047 0.942035 2.948187
H 3.083505 -0.342080 -1.773784
H 4.463291 -1.656600 -3.341199
H 5.160440 -3.162433 -2.755277
H -4.485839 -0.594488 1.821076
H -5.773894 -1.992682 -2.084087
H -6.842457 -0.764641 2.656170
H -8.151284 -2.163407 -1.247476
H -8.682127 -1.544381 1.135190


