%chk=000205637.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205637

0 1
P 0.522067 -3.021341 -1.047851
O 2.656865 -0.590432 -0.655540
O -1.984253 -2.185771 0.806810
O 3.204862 0.040793 1.445919
O -0.298571 -0.873381 1.541931
C 1.935627 -2.750124 0.218917
C -0.715445 -4.090570 -0.025271
C 3.083189 -1.961191 -0.375843
C -1.241925 -3.382487 1.204848
C 1.260004 -4.356273 -2.193935
C 2.676156 0.308881 0.390683
C -1.370993 -0.962148 0.983180
C 2.027603 1.580629 -0.015506
C -2.212564 0.129507 0.441267
C 2.094411 2.671884 0.865388
C -1.706346 1.438633 0.486942
C 1.351386 1.696130 -1.238663
C -3.478479 -0.122694 -0.108474
C 1.489935 3.880785 0.514338
C -2.472973 2.493244 -0.013776
C 0.751147 2.910059 -1.583823
C -4.239773 0.937783 -0.605129
C 0.822184 4.000105 -0.709978
C -3.737899 2.243373 -0.556840
H 1.504629 -2.181059 1.080700
H 2.292560 -3.709502 0.627639
H -1.553572 -4.343558 -0.706106
H -0.242820 -5.045823 0.263346
H 3.421386 -2.290193 -1.375181
H 3.947535 -1.924121 0.317771
H -0.461244 -3.107680 1.941185
H -2.033063 -3.972007 1.708878
H 0.483333 -4.746103 -2.859375
H 1.695585 -5.190851 -1.642466
H 2.040438 -3.911425 -2.820385
H 2.617606 2.562976 1.819478
H -0.712527 1.621763 0.909366
H 1.297640 0.833147 -1.909540
H -3.856813 -1.147432 -0.144938
H 1.541796 4.730503 1.193092
H -2.080838 3.508714 0.018471
H 0.227189 3.004222 -2.533674
H -5.223399 0.747267 -1.030990
H 0.357853 4.946876 -0.984141
H -4.334888 3.068394 -0.945021


%chk=000205637-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205637

0 1
P 0.532537 -2.944974 -1.039787
O 2.766688 -0.632102 -0.689520
O -2.111434 -2.239849 0.797250
O 3.243855 0.010502 1.504541
O -0.388642 -0.768028 1.363878
C 2.005597 -2.830719 0.187146
C -0.608520 -4.076814 0.022509
C 3.189128 -2.020527 -0.358549
C -1.259057 -3.384818 1.228487
C 1.208525 -4.324308 -2.178726
C 2.780865 0.285482 0.370296
C -1.539195 -0.962474 0.896058
C 2.206059 1.602343 -0.030525
C -2.451163 0.103992 0.396427
C 2.216165 2.652789 0.923210
C -1.973063 1.440642 0.398097
C 1.646619 1.817364 -1.316446
C -3.757746 -0.182448 -0.078108
C 1.676580 3.912611 0.590494
C -2.798694 2.483184 -0.069418
C 1.109382 3.080010 -1.645599
C -4.580470 0.865529 -0.541611
C 1.124171 4.129171 -0.695482
C -4.103582 2.198587 -0.538071
H 1.630002 -2.345342 1.104880
H 2.355815 -3.852360 0.439706
H -1.392745 -4.459153 -0.656798
H -0.026510 -4.945659 0.393489
H 3.575624 -2.418343 -1.311677
H 4.001131 -1.972548 0.389565
H -0.506781 -3.015079 1.947178
H -1.961570 -4.065102 1.738780
H 0.403602 -4.663258 -2.853660
H 1.587028 -5.190403 -1.604356
H 2.024864 -3.918843 -2.800846
H 2.645119 2.458257 1.911747
H -0.959027 1.639156 0.760512
H 1.630682 0.993129 -2.034293
H -4.110254 -1.217413 -0.078807
H 1.686992 4.723277 1.327264
H -2.424143 3.512471 -0.071559
H 0.675347 3.245087 -2.637714
H -5.589927 0.646268 -0.906342
H 0.709863 5.110144 -0.955605
H -4.745116 3.010071 -0.900308


