%chk=000184868.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000184868

0 1
P 0.139535 0.116596 -0.401966
O -1.362111 0.012633 0.291720
O 0.718513 1.419996 0.425578
O 0.866494 -1.093132 0.452984
O 0.231064 0.108450 -1.861264
O -1.888879 -3.342009 2.748793
C -2.152842 -1.050809 -0.169293
C -2.216843 -2.213987 0.618119
C 0.291495 2.667307 -0.065117
C 2.214401 -1.323909 0.123253
C -0.750099 3.324692 0.621974
C 3.203022 -0.798841 0.981050
C -2.922111 -0.874495 -1.323873
C -3.083925 -3.232233 0.203252
C -1.361811 -2.360795 1.847030
C 0.989818 3.249195 -1.127200
C 2.508792 -2.153720 -0.962470
C -1.082276 4.618016 0.194071
C 4.535251 -1.136614 0.702637
C -3.783612 -1.906141 -1.706912
C -3.863100 -3.078774 -0.947519
C -1.462141 2.657546 1.745161
C 2.833379 0.079687 2.123296
C 0.630505 4.538798 -1.528077
C 3.847613 -2.467963 -1.210739
C -0.400040 5.217350 -0.869595
C 4.853331 -1.960776 -0.381587
H -2.843848 0.040948 -1.910058
H -3.135933 -4.152453 0.791350
H -0.355128 -2.764037 1.590837
H -1.239345 -1.399047 2.382117
H 1.789711 2.707120 -1.631656
H 1.713690 -2.541472 -1.599357
H -1.881811 5.160705 0.697061
H 5.330507 -0.751874 1.340118
H -4.391718 -1.794346 -2.604461
H -2.105413 1.837575 1.373543
H -0.752550 2.194858 2.449221
H -2.099774 3.341966 2.316147
H 2.003269 -0.350834 2.705500
H 3.665454 0.259009 2.813757
H 2.481033 1.066235 1.766754
H -4.532368 -3.880477 -1.256872
H 1.156098 5.012200 -2.356238
H 4.103814 -3.109509 -2.052739
H -0.675383 6.222276 -1.187430
H 5.895024 -2.209725 -0.580702
H -2.756154 -3.049984 3.096702


%chk=000184868-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000184868

0 1
P 0.118481 0.106925 -0.615748
O -1.440873 -0.142898 0.100521
O 0.608270 1.537984 0.221857
O 1.026008 -1.084378 0.248580
O 0.207401 0.105715 -2.199870
O -2.355474 -3.098674 3.044911
C -2.261348 -1.263173 -0.274669
C -2.447895 -2.284174 0.688085
C 0.198962 2.847792 -0.208598
C 2.428307 -1.292388 0.001531
C -0.597435 3.595873 0.694961
C 3.303340 -1.081655 1.096631
C -2.898435 -1.273187 -1.530954
C -3.321461 -3.346123 0.348924
C -1.726290 -2.244417 2.030080
C 0.654052 3.357744 -1.440494
C 2.861922 -1.760009 -1.254962
C -0.918840 4.921814 0.309340
C 4.672846 -1.377372 0.879606
C -3.761552 -2.346102 -1.845930
C -3.973458 -3.380013 -0.904600
C -1.075199 2.992339 1.998992
C 2.786507 -0.562748 2.421891
C 0.307967 4.679673 -1.797772
C 4.235014 -2.035512 -1.439512
C -0.475729 5.462634 -0.919683
C 5.139518 -1.847200 -0.369678
H -2.712025 -0.461194 -2.240626
H -3.466950 -4.148610 1.079791
H -0.703085 -2.644527 1.924578
H -1.635268 -1.196350 2.378633
H 1.256938 2.728588 -2.102579
H 2.140046 -1.897188 -2.066122
H -1.530344 5.531604 0.984726
H 5.379111 -1.229446 1.704933
H -4.262333 -2.371101 -2.819414
H -1.611553 2.042614 1.819757
H -0.225093 2.754238 2.664600
H -1.749053 3.685319 2.530147
H 2.080034 -1.277234 2.883431
H 3.616167 -0.390148 3.127716
H 2.233950 0.384756 2.285198
H -4.640639 -4.213836 -1.148348
H 0.650284 5.091035 -2.753088
H 4.590246 -2.396767 -2.410263
H -0.743742 6.489402 -1.191143
H 6.204446 -2.063576 -0.506893
H -3.263141 -2.750849 3.238426


