%chk=000190973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190973

0 1
O -0.742206 0.958290 0.607951
O 0.304490 1.555540 -1.301863
O 3.109805 3.141727 -0.124787
N -4.106152 -1.295128 0.448070
N 3.514050 0.981085 -0.649463
C -4.364739 0.169522 0.658483
C -3.356530 -1.301588 -0.854866
C -4.935738 0.576329 -0.728910
C -4.267322 -0.395776 -1.730244
C -3.063571 0.949775 0.967363
C -1.945322 -0.685840 -0.709781
C -2.012622 0.729694 -0.126003
C -3.443132 -1.997339 1.573583
C 1.552415 1.515593 0.831928
C 0.349408 1.363144 -0.111388
C 1.843206 0.157607 1.502074
C 2.765947 1.984759 -0.003053
C 1.230561 2.588864 1.871900
C 2.402825 -0.847307 0.539714
C 3.243554 -0.409695 -0.512333
C 2.147281 -2.213815 0.676318
C 3.820318 -1.331470 -1.402016
C 2.719281 -3.134575 -0.208254
C 3.552791 -2.692471 -1.239758
H -5.100775 0.309606 1.477531
H -3.288462 -2.338107 -1.246115
H -4.725920 1.627606 -0.971292
H -6.031937 0.457863 -0.741119
H -5.025074 -1.003619 -2.251599
H -3.697125 0.136403 -2.505349
H -3.277206 2.027729 1.078159
H -2.652600 0.631015 1.946578
H -1.316051 -1.328474 -0.063863
H -1.429377 -0.662965 -1.688946
H -2.077455 1.496827 -0.927804
H -4.101396 -1.946654 2.456510
H -2.453385 -1.608308 1.857237
H -3.333729 -3.061728 1.307817
H 0.909458 -0.215983 1.977335
H 2.566281 0.300709 2.335856
H 0.296586 2.364528 2.403800
H 2.031986 2.687291 2.614785
H 1.123282 3.579448 1.400527
H 4.249198 1.275987 -1.296672
H 1.501171 -2.567254 1.479390
H 4.462429 -0.993843 -2.212429
H 2.514236 -4.196692 -0.091705
H 3.997066 -3.412808 -1.926798


%chk=000190973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000190973

0 1
O -0.653141 0.902045 0.757906
O 0.277406 1.524454 -1.287752
O 3.080771 3.254285 -0.422048
N -4.243316 -1.323975 0.302744
N 3.454951 0.999088 -0.792542
C -4.399900 0.118740 0.642663
C -3.371202 -1.283688 -0.905476
C -4.820474 0.705835 -0.738115
C -4.127264 -0.240970 -1.782882
C -3.055551 0.738066 1.154238
C -1.921370 -0.807586 -0.554047
C -1.968613 0.599337 0.076310
C -3.900932 -2.261550 1.380122
C 1.648772 1.630293 0.798049
C 0.383755 1.354713 -0.051997
C 2.066748 0.331932 1.552809
C 2.777744 2.053857 -0.179626
C 1.360842 2.780563 1.793698
C 2.496613 -0.765197 0.597336
C 3.214464 -0.381347 -0.569408
C 2.257674 -2.135802 0.826231
C 3.703477 -1.355879 -1.471197
C 2.739993 -3.119342 -0.069089
C 3.468654 -2.723790 -1.214932
H -5.180737 0.247641 1.413558
H -3.326132 -2.281584 -1.377580
H -4.510486 1.760668 -0.849138
H -5.917048 0.663700 -0.844605
H -4.882773 -0.751749 -2.402472
H -3.441790 0.299073 -2.460046
H -3.196558 1.802526 1.418326
H -2.731868 0.211109 2.072171
H -1.464516 -1.515448 0.164830
H -1.287828 -0.795260 -1.458689
H -2.089968 1.359380 -0.716833
H -4.680868 -2.215061 2.161976
H -2.915014 -2.086673 1.875633
H -3.892529 -3.289816 0.974863
H 1.229522 0.000756 2.189472
H 2.910315 0.596226 2.224785
H 0.515984 2.510112 2.448376
H 2.254835 2.972130 2.413013
H 1.126092 3.711730 1.253491
H 4.121594 1.273771 -1.519863
H 1.698633 -2.436236 1.720718
H 4.252375 -1.047622 -2.369155
H 2.551309 -4.180370 0.124490
H 3.847156 -3.477581 -1.913818


