%chk=000180565.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180565

1 1
O 0.485513 -0.713141 0.168502
N 3.882611 -0.081895 -0.762973
N 0.475167 -0.444044 -2.072828
C 4.783200 1.152737 -0.585611
C 3.171576 -0.393761 0.559588
C 2.854446 0.250585 -1.851679
C 5.774020 0.986216 0.570021
C 4.149042 -0.562839 1.719994
C 5.058634 0.656688 1.882007
C 4.717660 -1.262046 -1.207709
C 1.872005 -0.901882 -2.177155
C -0.169499 -0.420668 -0.821858
C -1.632688 0.008214 -0.846807
C -2.532949 -1.121069 -0.377064
C -1.825950 1.248453 0.006539
C -3.732699 -1.352982 -1.067002
C -2.478030 2.360185 -0.547069
C -2.201697 -1.911059 0.731785
C -1.384089 1.288711 1.336239
C -4.590512 -2.374019 -0.649143
C -2.683391 3.504710 0.228745
C -3.063212 -2.931718 1.143202
C -1.592475 2.435560 2.106333
C -4.257228 -3.166004 0.454430
C -2.240926 3.545195 1.554716
H 5.327755 1.352582 -1.535611
H 4.131569 2.037954 -0.389885
H 2.439792 0.424706 0.776508
H 2.530951 -1.305809 0.438139
H 3.394072 0.553553 -2.777552
H 2.275313 1.151947 -1.526748
H 6.354857 1.929766 0.681001
H 6.533469 0.212034 0.337787
H 4.751732 -1.486353 1.608170
H 3.560303 -0.722976 2.653184
H 5.804535 0.470102 2.683866
H 4.472416 1.530666 2.233720
H 5.198717 -1.080162 -2.184697
H 4.112478 -2.182884 -1.294211
H 5.524104 -1.479806 -0.478840
H 2.024893 -1.770285 -1.486672
H 2.060671 -1.279554 -3.208733
H -0.006964 -0.224480 -2.939912
H -1.930202 0.262827 -1.902814
H -4.010827 -0.736084 -1.919486
H -2.842508 2.336585 -1.572354
H -1.274115 -1.730308 1.278748
H -0.885427 0.419603 1.770394
H -5.524614 -2.550243 -1.183425
H -3.198033 4.365159 -0.199919
H -2.804844 -3.543430 2.007610
H -1.259116 2.460705 3.143626
H -4.929245 -3.960416 0.779107
H -2.409856 4.436173 2.159398


%chk=000180565-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180565

1 1
O 0.406167 -0.658371 0.277029
N 3.940988 -0.012864 -0.672334
N 0.408607 -0.444535 -2.010962
C 4.642853 1.297780 -0.219785
C 3.563286 -0.843125 0.587485
C 2.660763 0.406451 -1.432740
C 5.838293 1.060548 0.715610
C 4.756958 -1.085790 1.522246
C 5.430651 0.233697 1.954690
C 4.850560 -0.804486 -1.601444
C 1.840968 -0.765168 -2.046975
C -0.255427 -0.436031 -0.788035
C -1.753867 -0.104280 -0.837428
C -2.633357 -1.229738 -0.262169
C -1.983008 1.266041 -0.164950
C -3.897096 -1.457623 -0.865096
C -2.242728 2.401654 -0.972280
C -2.258316 -2.009771 0.861186
C -1.930240 1.416973 1.243120
C -4.772823 -2.441309 -0.356604
C -2.451233 3.670627 -0.385061
C -3.134290 -2.997339 1.366382
C -2.135322 2.684963 1.829812
C -4.393229 -3.216270 0.763395
C -2.396015 3.815429 1.019557
H 4.935817 1.830585 -1.141471
H 3.862726 1.886621 0.295124
H 2.757021 -0.280638 1.086694
H 3.125901 -1.790178 0.236692
H 2.981476 1.121607 -2.210662
H 2.031656 0.931698 -0.698129
H 6.211606 2.056169 1.018328
H 6.673197 0.573010 0.177847
H 5.497629 -1.765232 1.058453
H 4.362268 -1.623867 2.403513
H 6.316905 0.023972 2.577645
H 4.730835 0.821724 2.580451
H 5.085471 -0.186822 -2.482672
H 4.336505 -1.724923 -1.914322
H 5.779588 -1.070181 -1.080648
H 1.998410 -1.693137 -1.467965
H 2.134866 -0.956068 -3.091852
H -0.103718 -0.301929 -2.881870
H -2.034212 0.014603 -1.902429
H -4.205536 -0.855348 -1.728997
H -2.303620 2.294136 -2.063294
H -1.282093 -1.852376 1.330602
H -1.745366 0.544387 1.877295
H -5.746544 -2.602193 -0.831614
H -2.667044 4.537453 -1.019104
H -2.833598 -3.594219 2.234629
H -2.105737 2.790247 2.919887
H -5.070594 -3.979997 1.160140
H -2.566552 4.795131 1.478682


