%chk=000220451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220451

0 1
P 4.696214 0.797083 -0.090215
P -4.695330 0.827701 0.058758
O 5.651606 0.480095 -1.416717
O 4.694722 -0.634823 0.742162
O -5.652421 0.566451 1.396140
O -4.702448 -0.634447 -0.719238
O 5.141292 1.909861 0.772688
O -5.133898 1.909898 -0.845387
C 0.557546 0.900462 -0.545071
C -0.556063 0.923709 0.509853
C 1.948278 0.884004 0.111023
C -1.946943 0.890684 -0.145304
C 3.046399 0.917774 -0.946565
C -3.044727 0.970679 0.910145
C 7.062545 0.789973 -1.271686
C 4.523737 -1.853249 -0.032146
C -7.061523 0.878976 1.239413
C -4.538556 -1.823918 0.100305
C 7.789498 -0.326949 -0.543457
C 5.186532 -2.924567 0.816598
C -7.795136 -0.260233 0.553627
C -5.207836 -2.922415 -0.707624
H 0.440398 0.018456 -1.203018
H 0.465704 1.783216 -1.208081
H -0.444056 0.066538 1.200698
H -0.458927 1.830345 1.139018
H 2.034298 -0.016882 0.756138
H 2.035495 1.756593 0.796453
H -2.038310 -0.033340 -0.756042
H -2.029128 1.737333 -0.863123
H 2.928252 0.108960 -1.691585
H 3.002897 1.859619 -1.532635
H -2.995568 1.933599 1.460427
H -2.931299 0.189737 1.685038
H 7.374605 0.865737 -2.333238
H 7.194545 1.773158 -0.775983
H 3.434519 -2.023736 -0.134805
H 4.998461 -1.767230 -1.029510
H -7.187780 1.843586 0.707072
H -7.373008 0.996448 2.297331
H -5.012589 -1.697677 1.093710
H -3.450350 -1.996883 0.209351
H 7.557569 -0.348919 0.531533
H 7.523214 -1.310214 -0.951282
H 8.876541 -0.212000 -0.632631
H 6.273545 -2.780380 0.865896
H 4.823544 -2.874126 1.854301
H 4.987197 -3.929619 0.431993
H -7.563468 -0.323979 -0.519753
H -7.534604 -1.229019 0.998167
H -8.881471 -0.135605 0.638306
H -6.293980 -2.773722 -0.762384
H -4.844712 -2.913170 -1.746464
H -5.014422 -3.913471 -0.285504


%chk=000220451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220451

0 1
P 4.791831 0.757951 -0.076590
P -4.792578 0.786338 0.052295
O 5.823055 0.617904 -1.479061
O 4.926942 -0.777259 0.754602
O -5.829189 0.700104 1.455258
O -4.928792 -0.777514 -0.723145
O 5.143194 1.954066 0.910407
O -5.137620 1.947126 -0.978268
C 0.577057 0.757347 -0.523375
C -0.578629 0.789389 0.502447
C 1.967247 0.741089 0.151910
C -1.968775 0.740836 -0.171265
C 3.108639 0.762856 -0.886418
C -3.110611 0.816629 0.864263
C 7.223280 1.122841 -1.363721
C 4.876687 -2.045955 -0.020626
C -7.223538 1.216168 1.319004
C -4.898324 -2.017452 0.098180
C 8.146954 0.094129 -0.703419
C 5.328920 -3.151560 0.930764
C -8.155204 0.180114 0.681848
C -5.331890 -3.155582 -0.823096
H 0.469426 -0.136747 -1.172349
H 0.498411 1.640165 -1.190439
H -0.475048 -0.066305 1.201896
H -0.495895 1.708818 1.117498
H 2.058603 -0.158154 0.793120
H 2.066746 1.616768 0.822705
H -2.061867 -0.189721 -0.765708
H -2.066728 1.581343 -0.885889
H 3.065688 -0.106648 -1.566902
H 3.071307 1.677645 -1.504551
H -3.068020 1.758340 1.440195
H -3.073324 -0.021542 1.583237
H 7.510559 1.322237 -2.409456
H 7.213220 2.072965 -0.796480
H 3.837654 -2.221301 -0.369601
H 5.540344 -1.967501 -0.903084
H -7.200355 2.150375 0.726308
H -7.513556 1.446699 2.357549
H -5.581327 -1.905832 0.961968
H -3.867884 -2.181925 0.476739
H 7.841502 -0.095742 0.340569
H 8.134928 -0.860769 -1.258013
H 9.185506 0.475197 -0.693929
H 6.362347 -2.968674 1.270471
H 4.675461 -3.190017 1.818821
H 5.291324 -4.132874 0.421724
H -7.847128 -0.040897 -0.355221
H -8.156536 -0.759638 1.261867
H -9.189399 0.572187 0.656898
H -6.357039 -2.983105 -1.192035
H -4.658962 -3.226613 -1.694445
H -5.308014 -4.118197 -0.278767


