%chk=000188354.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188354

0 1
P -3.095640 1.474871 1.016354
P -3.671476 -1.378078 0.185342
P -1.205645 -2.114007 -1.490546
O 1.330261 2.402210 0.835664
O 0.848674 4.686259 -1.502421
O -2.033256 2.290527 0.110411
O 3.666703 0.566439 -2.119234
O -3.553649 0.232151 -0.026100
O 1.808527 -3.324859 -0.678341
O -2.135990 0.619475 2.030078
O -4.222484 2.239981 1.519722
O -2.794407 -1.884803 -1.101345
O -5.123195 -1.776734 -0.394723
O -3.303701 -1.764504 1.550592
O -0.875678 -3.422703 -0.627570
O -1.414805 -2.699213 -2.997799
O -0.392600 -0.892380 -1.372530
N 2.555313 0.624182 -0.070852
N 2.830304 -1.415869 -1.329009
C 0.904280 3.261443 -1.374257
C 2.515861 2.135936 0.078743
C 0.242506 2.822635 -0.040070
C 2.395222 2.926825 -1.222636
C -0.747424 1.662835 -0.179130
C 1.974554 -0.132527 0.967125
C 3.054383 -0.015386 -1.244041
C 1.797220 -1.477646 0.877636
C 1.271389 -2.303916 2.036411
C 2.108783 -2.172970 -0.362463
C 2.119439 -2.057824 3.291601
C -0.210261 -2.017063 2.297778
H 0.437207 2.797604 -2.266684
H 3.359923 2.431683 0.744971
H -0.215244 3.681857 0.507931
H 2.807920 2.414712 -2.117737
H 2.977916 3.875171 -1.155510
H -0.831935 1.254746 -1.209248
H -0.497220 0.829323 0.511116
H 1.673531 0.438275 1.863669
H -0.057506 4.981503 -1.732878
H 1.373911 -3.389248 1.761233
H 3.136786 -1.883566 -2.195270
H 1.964696 -1.056859 3.707109
H 3.188791 -2.173629 3.083185
H 1.863121 -2.774795 4.081145
H -0.465330 -0.956734 2.181901
H -0.502595 -2.307081 3.314691
H -0.862543 -2.592707 1.627547
H -2.515765 -0.204839 2.500453
H -5.251849 -1.702127 -1.388301
H 0.123794 -3.726929 -0.539154
H -1.595314 -2.051547 -3.728158


%chk=000188354-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188354

0 1
P -3.536445 1.721898 0.520660
P -3.556102 -1.367936 -0.112177
P -0.937962 -2.253273 -1.715341
O 1.562467 2.635255 0.820306
O 1.051526 4.787648 -1.345269
O -2.092866 2.536874 0.094727
O 3.913573 0.560833 -2.016342
O -3.450932 0.278637 -0.576604
O 2.033672 -3.388484 -0.472930
O -3.209823 1.051130 2.046312
O -4.827929 2.586091 0.294614
O -2.642831 -2.177116 -1.294043
O -5.086645 -1.950042 -0.537924
O -3.213929 -1.523432 1.439118
O -0.420811 -3.552677 -0.836812
O -1.107351 -2.858417 -3.302742
O -0.212849 -0.841147 -1.570411
N 2.544034 0.628366 -0.101225
N 3.119155 -1.435564 -1.070220
C 0.506181 3.434522 -1.192599
C 2.374017 2.131405 -0.275931
C 0.239741 3.079981 0.286639
C 1.625603 2.457079 -1.600361
C -0.780197 1.943484 0.474115
C 1.944111 -0.054723 0.944238
C 3.256503 -0.033404 -1.121777
C 1.828544 -1.433312 0.982196
C 1.158925 -2.207826 2.113993
C 2.315020 -2.153779 -0.180361
C 2.203123 -3.097167 2.847054
C 0.401513 -1.307050 3.113550
H -0.413069 3.304664 -1.795434
H 3.373089 2.589573 -0.213714
H -0.057745 3.953316 0.889743
H 1.201413 1.540422 -2.042322
H 2.293136 2.927143 -2.335374
H -0.574794 1.073738 -0.179162
H -0.810110 1.632883 1.533813
H 1.533986 0.589987 1.722196
H 0.352196 5.454969 -1.127522
H 0.418162 -2.889634 1.648962
H 3.519201 -1.950754 -1.862130
H 2.965813 -2.472945 3.348563
H 2.712403 -3.777851 2.143162
H 1.702681 -3.713345 3.615544
H 1.084409 -0.613198 3.640143
H -0.084440 -1.935689 3.879502
H -0.392909 -0.718121 2.618942
H -3.237650 0.023924 2.099809
H -5.124857 -2.436120 -1.402867
H 0.643441 -3.621418 -0.635915
H -1.349889 -2.179299 -3.983992


