%chk=000161117.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161117

0 1
 O    1.993800      0.1291000      -1.555600    
 N   0.7669000      -1.844300      0.7589000    
 N   -4.908600     -0.6601000     -0.7755000    
 N    4.002700      0.4697000     -0.4369000    
 C  -0.5956000      -1.245800      0.7981000    
 C  -0.6034000      0.2857000      0.5145000    
 C   -1.543100      -2.054800     -0.1640000    
 C    1.866200      0.3850000      0.7886000    
 C    1.752700     -0.9932000       1.445800    
 C   -2.836200      -1.347000     -0.3593000    
 C   -1.912600      0.9321000      0.2696000    
 C   -2.913800      4.3800000E-02 -0.1402000    
 C   0.5365000      0.9972000      0.4831000    
 C   -4.205900      0.4661000     -0.4055000    
 C   0.8013000      -3.190600       1.339500    
 C    2.617700      0.3154000     -0.5075000    
 C   -4.085500      -1.765300     -0.7528000    
 C   -2.269200       2.279800      0.4023000    
 C   -4.577200       1.805400     -0.2793000    
 C   -3.578400       2.702400      0.1308000    
 C    4.853400      0.4237000      -1.619400    
 C    4.701000      0.6886000      0.8272000    
 C    5.321500     -0.9934000      -1.904000    
 C    4.815800       2.170600       1.141600    
 H  -0.9946000      -1.349300       1.819800    
 H   -1.744000      -3.051700      0.2441000    
 H   -1.062500      -2.182500      -1.142700    
 H    2.335400       1.068100       1.499200    
 H    2.731100      -1.488400       1.424900    
 H    1.476200     -0.8750000       2.502800    
 H   0.5324000       2.060700      0.2589000    
 H    1.820700      -3.593500       1.318800    
 H   0.1971000      -3.894400      0.7598000    
 H   0.4520000      -3.200300       2.378100    
 H   -4.469600      -2.739000      -1.022400    
 H   -1.542400       3.019500      0.7277000    
 H   -5.886000     -0.6744000      -1.031900    
 H   -5.586900       2.141800     -0.4855000    
 H   -3.829100       3.754900      0.2440000    
 H    4.275000      0.7821000      -2.478300    
 H    5.705000       1.100000      -1.491400    
 H    4.214300      0.1692000       1.654400    
 H    5.703700      0.2506000      0.7557000    
 H    5.914100      -1.390200      -1.073500    
 H    4.470800      -1.665800      -2.056800    
 H    5.940800      -1.015100      -2.806000    
 H    5.403800       2.688600      0.3766000    
 H    3.839400       2.661600       1.187800    
 H    5.316600       2.314900       2.104000    


%chk=000161117-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161117

0 1
O 2.053896 0.285130 -1.591497
N 0.789060 -1.668892 0.887602
N -4.915941 -0.795792 -0.974882
N 4.030199 0.429482 -0.384341
C -0.602198 -1.160225 0.762046
C -0.659337 0.371425 0.576748
C -1.338283 -1.902871 -0.413479
C 1.837499 0.595615 0.850305
C 1.703563 -0.756885 1.599642
C -2.734414 -1.351313 -0.563923
C -2.021732 0.919346 0.354333
C -2.967992 0.011123 -0.175042
C 0.456942 1.149801 0.591646
C -4.323861 0.358739 -0.442483
C 0.858813 -3.037839 1.432902
C 2.634921 0.433005 -0.473122
C -3.949604 -1.830871 -1.046735
C -2.488025 2.227596 0.621739
C -4.787362 1.668745 -0.178461
C -3.844055 2.582907 0.352037
C 4.799120 0.216975 -1.636765
C 4.814878 0.662326 0.848112
C 5.085930 -1.276741 -1.898810
C 5.200387 2.145559 1.054849
H -1.183838 -1.386428 1.698115
H -1.351214 -2.990854 -0.223744
H -0.736083 -1.731130 -1.326687
H 2.379351 1.297898 1.514971
H 2.685527 -1.261573 1.675079
H 1.360005 -0.538066 2.645289
H 0.374311 2.222281 0.375950
H 1.910258 -3.376713 1.436841
H 0.288317 -3.738472 0.801383
H 0.463666 -3.118188 2.478565
H -4.217441 -2.808751 -1.443348
H -1.818863 2.975778 1.061536
H -5.884143 -0.883290 -1.273892
H -5.820504 1.979708 -0.368137
H -4.172986 3.604767 0.574609
H 4.202611 0.628690 -2.468182
H 5.743140 0.790228 -1.565391
H 4.261225 0.291952 1.726621
H 5.733409 0.047453 0.782830
H 5.659759 -1.731051 -1.069374
H 4.135398 -1.825274 -2.010610
H 5.671646 -1.400627 -2.828579
H 5.767686 2.530914 0.188782
H 4.300472 2.774968 1.175865
H 5.829186 2.261935 1.957191


