%chk=000243916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243916

0 1
P 0.307894 -0.519743 -0.186556
O 0.746447 -0.454296 -1.621772
N 0.453296 -2.173328 0.469217
N -1.358907 -0.049279 0.004274
N 1.141494 0.456311 1.002546
C -0.200028 -3.280073 -0.294157
C 1.308068 -3.142737 -0.280443
C -1.957368 -0.311962 1.344831
C -2.209257 -0.270548 -1.197849
C 1.118138 1.910556 0.673840
C 2.449779 -0.058321 1.483843
C -3.465374 -0.018840 1.426332
C -2.966390 1.030074 -1.532151
C 1.920778 2.369272 -0.554296
C 3.552997 -0.398178 0.462041
C -3.869689 1.339161 0.838200
C -4.203813 1.258119 -0.658027
C 3.406553 1.998339 -0.478039
C 3.646022 0.511770 -0.767524
H -0.761052 -3.105261 -1.216715
H -0.689292 -4.037721 0.327652
H 1.916142 -3.803633 0.345254
H 1.839569 -2.850398 -1.195900
H -1.419160 0.349806 2.069773
H -1.795641 -1.363055 1.685003
H -2.927230 -1.105838 -1.050981
H -1.577544 -0.538510 -2.083084
H 1.490223 2.451392 1.576269
H 0.049994 2.220806 0.557391
H 2.233977 -0.969151 2.097493
H 2.852120 0.697453 2.200043
H -3.763369 -0.061994 2.493039
H -4.033436 -0.827790 0.927459
H -3.263246 1.009044 -2.598011
H -2.271086 1.888204 -1.426616
H 1.814561 3.465992 -0.656635
H 1.483850 1.943046 -1.485275
H 3.434885 -1.444380 0.116000
H 4.522205 -0.380827 1.000557
H -3.053889 2.072443 0.996793
H -4.747329 1.730873 1.386697
H -4.945099 0.455648 -0.835633
H -4.698983 2.198321 -0.971678
H 3.822579 2.272270 0.508993
H 3.964584 2.604911 -1.218601
H 2.922109 0.168023 -1.545193
H 4.644117 0.382027 -1.228604


%chk=000243916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243916

0 1
P 0.181883 -0.786957 -0.356644
O 0.520540 -0.772868 -1.934829
N 0.549278 -2.368189 0.459892
N -1.505282 -0.469372 -0.078449
N 1.030125 0.301693 0.705239
C 0.053633 -3.599821 -0.278666
C 1.533227 -3.282241 -0.256966
C -2.031327 -0.562762 1.305250
C -2.418913 -0.412320 -1.242750
C 0.835913 1.760006 0.508919
C 2.255485 -0.115895 1.425505
C -3.371166 0.179293 1.518458
C -2.897207 1.024267 -1.566454
C 1.716983 2.415288 -0.581912
C 3.553554 -0.250753 0.570590
C -3.445613 1.609106 0.924953
C -3.896369 1.635288 -0.558062
C 3.236820 2.158744 -0.426267
C 3.634456 0.677398 -0.668682
H -0.467755 -3.456318 -1.234096
H -0.353613 -4.377372 0.374999
H 2.204123 -3.830589 0.411698
H 1.970128 -2.911423 -1.193069
H -1.259627 -0.135239 1.974616
H -2.164370 -1.625525 1.605757
H -3.286164 -1.082986 -1.069347
H -1.863491 -0.800116 -2.116694
H 1.035616 2.239545 1.489444
H -0.231755 1.934801 0.271565
H 2.045589 -1.071871 1.937317
H 2.409464 0.649260 2.211538
H -3.537342 0.212466 2.613790
H -4.204993 -0.420510 1.102018
H -3.366149 1.015973 -2.572344
H -1.994541 1.662407 -1.643422
H 1.516210 3.507136 -0.564812
H 1.394257 2.038725 -1.572308
H 3.660034 -1.297577 0.222784
H 4.416501 -0.056270 1.240325
H -2.463127 2.111676 1.033649
H -4.170381 2.203621 1.516044
H -4.863819 1.094575 -0.632369
H -4.103263 2.682811 -0.857218
H 3.583155 2.492808 0.575258
H 3.766908 2.794941 -1.162399
H 2.984677 0.271133 -1.468652
H 4.672909 0.632011 -1.053398


