%chk=000214764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000214764

0 1
P 4.107727 -0.127170 1.222402
P -3.154645 -0.076085 0.524291
O 3.308879 -0.807159 -0.094634
O 3.914055 -0.881480 2.483330
O -2.183134 -1.319735 -0.065760
O -2.739945 0.511271 1.817685
O -3.941224 2.890994 -2.806652
N 3.531699 1.526413 1.195407
N 5.743444 -0.043961 0.614140
N -4.690583 -0.928892 0.519891
N -3.193914 1.034753 -0.810932
C 4.356886 2.614896 1.805513
C 3.090692 2.141558 2.486313
C 6.462579 -1.290858 0.212625
C 6.052567 -0.271787 -0.830812
C -5.086425 -1.731295 1.717638
C -4.755243 -2.419743 0.411288
C -3.896218 0.560548 -2.041209
C -3.608389 2.419013 -0.426329
C -3.567503 1.548211 -3.176519
C -3.275951 3.345796 -1.609126
C 1.921474 -0.874240 0.014091
C -0.809172 -1.088980 -0.012328
C 1.303629 -1.685272 0.978345
C 1.197949 -0.168092 -0.959480
C -0.086830 -1.787815 0.966724
C -0.191239 -0.281584 -0.978687
H 5.341400 2.424325 2.244589
H 4.359569 3.553277 1.237081
H 2.169308 2.733883 2.417955
H 3.129562 1.589599 3.434055
H 7.504220 -1.344465 0.553927
H 5.989383 -2.277219 0.251847
H 5.265633 -0.503755 -1.558273
H 6.794409 0.416076 -1.253394
H -6.131979 -1.605988 2.025605
H -4.434492 -1.829061 2.592434
H -3.849006 -3.027823 0.308469
H -5.558965 -2.796796 -0.231785
H -3.534914 -0.457793 -2.311879
H -5.002851 0.500490 -1.912353
H -4.695648 2.498018 -0.193160
H -3.044692 2.744245 0.481464
H -4.183748 1.370720 -4.075354
H -2.494614 1.532614 -3.435764
H -2.189304 3.397210 -1.797112
H -3.693724 4.359186 -1.477253
H 1.894793 -2.214930 1.731739
H 1.726949 0.456906 -1.677391
H -0.610139 -2.396791 1.702253
H -0.785716 0.252469 -1.720916


%chk=000214764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000214764

0 1
P 3.821029 0.662118 0.862533
P -3.553937 -0.819887 0.483802
O 3.178840 -0.811754 0.112461
O 3.404711 0.851147 2.393115
O -2.350262 -1.824208 -0.358144
O -3.584000 -0.990190 2.075533
O -1.562946 2.935123 -0.789523
N 3.311775 1.923296 -0.293950
N 5.531146 0.516805 0.541247
N -4.915156 -1.392352 -0.498390
N -3.327172 0.813331 0.005523
C 3.523551 3.373270 0.131475
C 2.128140 2.789151 0.132556
C 6.290076 -0.765010 0.776229
C 6.095384 -0.236196 -0.638383
C -6.222903 -1.675506 0.221721
C -5.388131 -2.820269 -0.323944
C -3.299607 1.257451 -1.406688
C -2.929941 1.852668 0.983746
C -1.917477 1.858637 -1.736956
C -1.555870 2.429762 0.599042
C 1.781279 -1.061493 0.054777
C -0.965742 -1.576851 -0.168701
C 0.974191 -1.044820 1.216582
C 1.231379 -1.368708 -1.209707
C -0.409421 -1.306439 1.104452
C -0.149756 -1.628998 -1.321630
H 3.994343 3.562765 1.103562
H 3.848851 4.018535 -0.689262
H 1.426788 3.015832 -0.675640
H 1.682633 2.580589 1.113253
H 7.247607 -0.629965 1.287082
H 5.719470 -1.656555 1.061210
H 5.390624 -0.771395 -1.283299
H 6.913307 0.285084 -1.144343
H -7.109060 -1.335103 -0.320764
H -6.242031 -1.542237 1.310498
H -4.863781 -3.455610 0.399351
H -5.667351 -3.306994 -1.262599
H -3.529343 0.405373 -2.069544
H -4.084497 2.027074 -1.548968
H -3.690092 2.659412 0.969161
H -2.907148 1.408016 1.994667
H -1.922146 2.337413 -2.730501
H -1.141399 1.065479 -1.707019
H -0.776421 1.646297 0.710956
H -1.302948 3.302975 1.223777
H 1.426544 -0.823387 2.188452
H 1.883134 -1.381462 -2.088194
H -1.052555 -1.307880 1.991655
H -0.607110 -1.860633 -2.288272


