%chk=000245527.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245527

0 1
P 2.455095 0.272443 0.622914
P -2.836742 0.285124 -0.432097
O 1.812797 1.255675 1.559298
O -4.265596 0.732326 -0.336381
N 2.232449 -1.419683 1.087182
N 4.210253 0.453380 0.518345
N -2.585825 -1.019548 -1.604101
N -2.206217 -0.423125 1.063273
N 1.871780 0.388085 -1.030811
N -1.732447 1.552434 -0.924707
C 0.981234 -1.746495 1.841440
C 2.327747 -1.788763 2.532303
C 4.820137 1.491923 1.407245
C 4.741995 1.714930 -0.087519
C -3.733999 -1.328680 -2.513648
C -2.481918 -0.675831 -3.056550
C -3.138925 -0.453248 2.234125
C -2.760033 -1.734520 1.524861
C 0.380274 0.250416 -1.136723
C -0.313324 1.451482 -0.455177
C 2.572336 -0.558538 -1.947805
C -2.312358 2.898801 -0.642785
H 0.490403 -2.674405 1.528886
H 0.238010 -0.977299 2.099833
H 2.576856 -1.055232 3.305550
H 2.821539 -2.748206 2.724111
H 5.766698 1.196802 1.873160
H 4.208306 2.095083 2.092626
H 4.086662 2.485154 -0.507172
H 5.632555 1.577478 -0.711847
H -3.915630 -2.396278 -2.678436
H -4.679345 -0.772174 -2.454941
H -1.749628 -1.271181 -3.613692
H -2.493487 0.360536 -3.410952
H -2.678912 -0.193660 3.194125
H -4.161438 -0.057045 2.164763
H -3.496990 -2.294123 0.940860
H -2.021322 -2.413046 1.965570
H 0.002704 -0.721084 -0.739641
H 0.120051 0.255431 -2.223644
H 0.212725 2.390654 -0.756259
H -0.219563 1.403698 0.660129
H 2.356512 -1.627208 -1.768517
H 2.283339 -0.326236 -2.988250
H 3.667994 -0.418777 -1.888472
H -2.168319 3.253192 0.392281
H -1.831216 3.630032 -1.317483
H -3.399419 2.924809 -0.863070


%chk=000245527-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245527

0 1
P 2.290602 0.195014 0.627217
P -2.748149 0.268301 -0.529591
O 1.367402 0.917531 1.740417
O -4.303734 0.633915 -0.307096
N 2.356538 -1.600322 0.760453
N 4.026808 0.606463 0.698043
N -2.479310 -1.102961 -1.673274
N -1.803587 -0.354531 0.858552
N 1.908677 0.582297 -1.029585
N -1.794939 1.594096 -1.107445
C 1.011973 -2.316703 0.882640
C 1.929418 -2.216725 2.084235
C 4.709850 0.539625 2.047472
C 4.395297 1.886496 1.422408
C -3.527486 -2.208067 -1.655587
C -3.483746 -1.224739 -2.807764
C -1.811218 0.462322 2.140402
C -2.568431 -0.848688 2.074347
C 0.478928 0.559376 -1.459161
C -0.340884 1.709581 -0.825123
C 2.887851 0.216454 -2.083694
C -2.491176 2.784189 -1.634746
H 0.969381 -3.250411 0.312586
H 0.093595 -1.709686 0.882107
H 1.626106 -1.530642 2.885437
H 2.537343 -3.075032 2.386581
H 5.725646 0.135287 2.012304
H 4.112805 0.248365 2.921030
H 3.577449 2.464072 1.871681
H 5.184997 2.463442 0.932753
H -3.114390 -3.214165 -1.773190
H -4.365855 -2.105789 -0.955106
H -3.039810 -1.517147 -3.763854
H -4.294932 -0.487245 -2.856007
H -0.819672 0.526492 2.598146
H -2.412587 1.380478 2.158342
H -3.663944 -0.794286 2.036945
H -2.146399 -1.749470 2.530908
H -0.008681 -0.411602 -1.241765
H 0.475006 0.670558 -2.558618
H -0.003199 2.671551 -1.251139
H -0.138021 1.741610 0.261004
H 2.696213 -0.794094 -2.500905
H 2.823174 0.958493 -2.901278
H 3.904350 0.239295 -1.661418
H -2.327107 3.667050 -0.984659
H -2.137295 3.026113 -2.655933
H -3.577058 2.589341 -1.666872


