%chk=000212413.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212413

0 1
O 4.835014 -0.497311 0.008450
O 4.560556 1.766495 -0.052993
N 0.477779 -0.193387 -1.030472
N -3.209913 -0.102486 -0.249881
N 3.299897 0.377718 -1.456346
C -0.776257 -0.424886 -0.241218
C 1.518629 -1.219275 -0.689146
C 1.013966 1.188471 -0.796460
C -1.956933 0.209319 -1.010601
C 2.757892 -1.003988 -1.582128
C 2.253675 1.417655 -1.683665
C -3.780537 -1.427113 -0.664982
C -4.224526 0.994553 -0.379578
C -4.653986 -1.977401 0.475691
C -3.826338 2.161763 0.540096
C 4.229463 0.659223 -0.434093
C -5.199294 -3.369682 0.135019
C -4.878103 3.277553 0.506587
C -6.071078 -3.922084 1.260599
C -4.488750 4.443741 1.412351
C 6.001259 -0.336993 0.911790
C 6.704669 -1.676019 0.767529
C 5.477041 -0.054129 2.308601
H -0.950425 -1.517507 -0.134253
H -0.736813 -0.019040 0.792138
H 1.815048 -1.202983 0.381768
H 1.092717 -2.225178 -0.894738
H 1.266504 1.384122 0.268409
H 0.222876 1.917616 -1.077537
H -1.968395 -0.156624 -2.059325
H -1.812996 1.309782 -1.072653
H 2.488564 -1.150611 -2.653991
H 3.551608 -1.742986 -1.330614
H 2.685430 2.427448 -1.496183
H 1.974600 1.365227 -2.761137
H -2.943085 -2.133053 -0.858738
H -4.364516 -1.369807 -1.607836
H -5.215431 0.599558 -0.060642
H -4.349126 1.347712 -1.424842
H -4.059867 -2.012179 1.410603
H -5.488193 -1.280970 0.688517
H -3.694817 1.785725 1.574501
H -2.836586 2.561087 0.247225
H -4.360881 -4.066330 -0.062027
H -5.785443 -3.327862 -0.803892
H -5.012975 3.640569 -0.531104
H -5.863063 2.877576 0.818284
H -5.510822 -4.008618 2.198825
H -6.453683 -4.918524 1.013355
H -6.935495 -3.277151 1.455626
H -4.379663 4.124796 2.455473
H -5.246853 5.234467 1.388627
H -3.536572 4.892399 1.107218
H 6.607842 0.509135 0.518036
H 6.992177 -1.861447 -0.275945
H 7.610434 -1.716767 1.382558
H 6.054740 -2.507743 1.069202
H 4.982191 0.928942 2.344543
H 6.284605 -0.044255 3.048418
H 4.740243 -0.801065 2.626282


%chk=000212413-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212413

0 1
O 5.233109 -0.600325 0.046585
O 4.932381 1.674584 -0.494046
N 0.370972 -0.337939 -0.609426
N -3.428872 -0.047413 -0.332981
N 3.202819 0.113558 -0.775659
C -0.984784 -0.435919 -0.010935
C 1.327279 -1.283005 0.022279
C 0.919792 1.042838 -0.578719
C -2.077184 0.234621 -0.874564
C 2.681537 -1.265362 -0.713691
C 2.263907 1.108677 -1.327225
C -3.989064 -1.346745 -0.785101
C -4.376641 1.088266 -0.458145
C -4.918081 -2.001899 0.259559
C -4.128907 2.195155 0.588408
C 4.478474 0.496977 -0.418027
C -5.540338 -3.325758 -0.240406
C -5.084941 3.399203 0.425609
C -6.445853 -3.996299 0.815206
C -4.838646 4.503239 1.476383
C 6.628987 -0.280841 0.502133
C 7.403134 -1.594764 0.366848
C 6.582028 0.270101 1.934892
H -1.229499 -1.510840 0.087453
H -1.030325 -0.000450 1.018188
H 1.498376 -1.036359 1.101913
H 0.902703 -2.302781 -0.030247
H 1.065854 1.398188 0.474018
H 0.209800 1.729000 -1.072693
H -1.957122 -0.111161 -1.928969
H -1.928788 1.329770 -0.879694
H 2.533163 -1.645197 -1.745295
H 3.414976 -1.903161 -0.200249
H 2.724442 2.105075 -1.232491
H 2.090299 0.893026 -2.401028
H -3.144847 -2.035582 -0.982549
H -4.537513 -1.240747 -1.756423
H -5.401643 0.696465 -0.315522
H -4.352016 1.535710 -1.485460
H -4.334817 -2.179577 1.184229
H -5.730854 -1.299518 0.535021
H -4.239290 1.752932 1.597668
H -3.081106 2.552785 0.518352
H -4.729948 -4.026107 -0.530611
H -6.126482 -3.131552 -1.162205
H -4.970307 3.824739 -0.592780
H -6.134742 3.047324 0.498009
H -5.876496 -4.229241 1.734681
H -6.879439 -4.940454 0.437146
H -7.282407 -3.330548 1.100358
H -4.978025 4.112155 2.501767
H -5.531843 5.353793 1.341130
H -3.805929 4.894031 1.405328
H 7.024488 0.492120 -0.182650
H 7.377877 -1.958865 -0.674501
H 8.457796 -1.442266 0.659645
H 6.969932 -2.372862 1.020410
H 6.004281 1.208878 1.967146
H 7.606503 0.482328 2.292920
H 6.119845 -0.464801 2.618308


