%chk=000239152.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239152

0 1
O -0.834772 -3.404639 2.095174
N 4.667909 1.122579 -1.028184
N -5.050184 0.433430 -0.561895
N 0.300861 -2.739277 1.636001
C 3.573760 0.415048 -0.466696
C -3.765674 -0.007258 -0.158629
C 5.887561 0.356552 -1.414677
C 4.942229 2.507115 -0.547392
C -6.094829 0.645901 0.479779
C -5.159727 1.343140 -1.737465
C 1.274049 -0.958857 0.435498
C -1.252129 -1.099395 0.556905
C 0.061873 -1.669649 0.921838
C 3.445634 -0.983261 -0.652307
C -3.574419 -0.621836 1.103499
C 2.523043 1.109263 0.184649
C -2.668355 0.047917 -1.055233
C 2.312331 -1.654124 -0.203409
C -2.340296 -1.165128 1.443226
C 1.393807 0.427709 0.623623
C -1.439327 -0.492403 -0.697251
C 6.676506 -0.228501 -0.243500
C 5.431256 2.599816 0.897919
C -5.837729 1.831586 1.409928
C -4.602278 2.748648 -1.511693
H 6.537881 1.035388 -2.011310
H 5.572848 -0.458135 -2.108831
H 4.008254 3.103760 -0.674174
H 5.692858 2.960497 -1.233541
H -7.070954 0.773652 -0.040387
H -6.182220 -0.294580 1.073740
H -4.637635 0.857730 -2.595770
H -6.234412 1.400286 -2.022915
H 4.227728 -1.547438 -1.154559
H -4.395558 -0.694353 1.812139
H 2.585020 2.183659 0.338858
H -2.781919 0.498783 -2.037865
H 2.230124 -2.733481 -0.346114
H -2.214340 -1.651844 2.414782
H 0.590960 0.974333 1.121722
H -0.605808 -0.445125 -1.401864
H 7.030169 0.559424 0.437976
H 6.064345 -0.914857 0.356380
H 7.551307 -0.786059 -0.593330
H 4.705534 2.170076 1.600815
H 6.373876 2.050411 1.040027
H 5.602191 3.639931 1.193366
H -4.889578 1.723125 1.952471
H -5.778352 2.776791 0.850287
H -6.634719 1.932058 2.153754
H -5.121624 3.259982 -0.687650
H -3.536491 2.724846 -1.249848
H -4.708765 3.366332 -2.409278
H -0.435623 -4.206167 2.568212


%chk=000239152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239152

0 1
O -0.968370 -3.647746 1.645647
N 4.945809 0.941403 -0.812301
N -5.069137 0.724891 -0.394720
N 0.276891 -2.927163 1.310148
C 3.764838 0.291354 -0.418655
C -3.824577 0.144423 -0.105675
C 6.164444 0.171062 -1.130961
C 5.038305 2.414465 -0.804807
C -6.185918 0.643829 0.567996
C -5.262664 1.531765 -1.616473
C 1.299925 -1.052398 0.306792
C -1.275500 -1.121769 0.462374
C 0.047857 -1.750766 0.723368
C 3.664317 -1.139133 -0.400260
C -3.602164 -0.596289 1.101154
C 2.593239 1.023595 -0.039892
C -2.719327 0.244489 -1.012165
C 2.466798 -1.781910 -0.051448
C -2.373711 -1.222410 1.362064
C 1.400248 0.365243 0.305698
C -1.489211 -0.370559 -0.727837
C 6.948589 -0.341158 0.103216
C 5.301766 3.040115 0.588031
C -6.103805 1.653513 1.740522
C -4.709683 2.976440 -1.530548
H 6.822563 0.823416 -1.734453
H 5.897702 -0.683603 -1.782846
H 4.110796 2.839031 -1.235301
H 5.855894 2.702042 -1.491917
H -7.123489 0.814409 0.007051
H -6.249136 -0.386841 0.967132
H -4.803731 1.007442 -2.476988
H -6.348224 1.569868 -1.823366
H 4.524407 -1.758994 -0.668859
H -4.399156 -0.696371 1.842939
H 2.608613 2.116425 -0.004192
H -2.816921 0.800622 -1.948523
H 2.418672 -2.875466 -0.050773
H -2.255807 -1.798207 2.282764
H 0.532712 0.964804 0.602341
H -0.672903 -0.276158 -1.452366
H 7.319475 0.499526 0.715725
H 6.309629 -0.972152 0.744901
H 7.818887 -0.944078 -0.217745
H 4.519823 2.746771 1.309725
H 6.275871 2.712023 0.991381
H 5.312198 4.144199 0.518096
H -5.164223 1.528761 2.305944
H -6.143135 2.693649 1.371643
H -6.949565 1.502879 2.437558
H -5.230438 3.554795 -0.747154
H -3.632215 2.973915 -1.291496
H -4.848989 3.499477 -2.495420
H -0.602072 -4.494070 2.009734


