%chk=000198387.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000198387

0 1
P 2.524170 -0.290117 -0.017725
O 2.246326 1.342587 0.040314
O 1.636673 -0.856258 1.260791
O 1.632411 -0.764896 -1.330020
O 3.923481 -0.687495 -0.034017
C -0.066604 0.440852 0.012268
C -1.536314 0.898085 0.030968
C 0.846968 1.692520 0.056675
C 0.252896 -0.444643 1.238983
C 0.249613 -0.352895 -1.276483
C -2.551845 -0.250806 -0.009411
C -3.991835 0.283881 0.011776
C -5.010457 -0.851856 -0.028077
H -1.718587 1.577906 -0.827412
H -1.716109 1.513708 0.937023
H 0.704710 2.352347 -0.821901
H 0.708666 2.285418 0.982336
H 0.092583 0.085787 2.197969
H -0.327755 -1.388589 1.244440
H -0.332867 -1.292828 -1.350417
H 0.089130 0.246756 -2.193757
H -2.401408 -0.869627 -0.915699
H -2.399222 -0.933599 0.849341
H -4.157261 0.962944 -0.848054
H -4.155024 0.898908 0.918928
H -4.906125 -1.523677 0.831942
H -4.907048 -1.460941 -0.933716
H -6.036066 -0.463572 -0.013764


%chk=000198387-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000198387

0 1
P 2.683900 -0.254851 -0.011356
O 2.299128 1.443337 0.004454
O 1.745826 -0.826197 1.340656
O 1.724149 -0.805435 -1.356827
O 4.204853 -0.635057 -0.026407
C -0.036373 0.409549 0.014560
C -1.532338 0.845591 0.034757
C 0.822730 1.708901 0.030102
C 0.293227 -0.446470 1.269617
C 0.277377 -0.406737 -1.270109
C -2.593970 -0.278553 -0.038895
C -4.030331 0.289742 0.044057
C -5.112983 -0.805798 -0.049284
H -1.700590 1.542985 -0.812203
H -1.705427 1.436496 0.958211
H 0.604238 2.329488 -0.857945
H 0.625684 2.294719 0.946520
H 0.073572 0.113643 2.196777
H -0.269637 -1.395628 1.269453
H -0.296268 -1.348594 -1.298716
H 0.061134 0.186247 -2.177640
H -2.490773 -0.845885 -0.985105
H -2.451361 -1.006249 0.784793
H -4.178070 1.027916 -0.770526
H -4.147337 0.847852 0.995266
H -5.010030 -1.539940 0.771807
H -5.039528 -1.358203 -1.004772
H -6.127703 -0.372971 0.012056


