%chk=000018390.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018390

0 1
 O   8.7399997E-02  0.8667000      -2.876600    
 N    3.233000       1.715000      0.8973000    
 N   0.6266000      -3.426300     -0.2721000    
 N  -0.5798000       2.615100      -1.565400    
 C  -0.1698000      0.4304000     -0.4706000    
 C   0.9060000       1.047700      0.4893000    
 C   0.2373000      -1.031900     -0.8803000    
 C   -1.598400      0.4260000      0.1243000    
 C    2.328400       1.123500     -8.5299999E-02
 C   0.2358000      -2.111000      0.2142000    
 C  -0.2003000       1.303300      -1.762400    
 C   -1.767900      0.9171000       1.389500    
 C   -2.613100     -6.9200002E-02 -0.6476000    
 C   -3.055600      0.9128000       1.925700    
 C   -3.900800     -7.3399998E-02 -0.1114000    
 C    3.193800      0.9605000       2.150100    
 C    4.598400       1.763000      0.3738000    
 C    1.957300      -3.378600     -0.8824000    
 C   0.6038000      -4.408000      0.8149000    
 C   -4.122000      0.4175000       1.175200    
 H   0.6197000       2.065700      0.7862000    
 H   0.9035000      0.4307000       1.393100    
 H  -0.4243000      -1.384700      -1.684400    
 H    1.219500     -0.9739000      -1.358000    
 H    2.326900       1.740400     -0.9909000    
 H    2.687500      0.1270000     -0.3636000    
 H  -0.7740000      -2.179800      0.6355000    
 H   0.8984000      -1.798100       1.030700    
 H  -0.9828000       1.310500       2.020700    
 H   -2.463900     -0.4442000      -1.654100    
 H  -0.8322000       2.984400     -0.6548000    
 H  -0.6293000       3.262600      -2.344900    
 H   -3.229000       1.294200       2.927800    
 H   -4.731800     -0.4565000     -0.6966000    
 H    4.011200       1.276800       2.810500    
 H    3.297600     -0.1201000       1.997200    
 H    2.284900       1.166800       2.724000    
 H    4.634700       2.344200     -0.5544000    
 H    5.000000      0.7634000      0.1711000    
 H    5.265700       2.266000       1.082400    
 H    2.310400      -4.392500      -1.107400    
 H    2.700700      -2.904800     -0.2311000    
 H    1.941800      -2.865700      -1.848900    
 H  -0.3965000      -4.468700       1.258000    
 H    1.319100      -4.163200       1.608500    
 H   0.8378000      -5.408800      0.4351000    
 H   -5.124600      0.4146000       1.592500    


%chk=000018390-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000018390

0 1
O 0.736635 1.140491 -2.697446
N 3.300234 1.779448 0.973532
N 0.510651 -3.432556 -0.276317
N -0.802774 2.504784 -1.643571
C -0.091261 0.421338 -0.457399
C 0.956519 0.982777 0.569381
C 0.299722 -1.017134 -0.928308
C -1.522732 0.421433 0.133953
C 2.420512 0.983625 0.079449
C 0.441952 -2.035618 0.219656
C -0.028423 1.362582 -1.710552
C -1.825668 0.877831 1.443376
C -2.602535 -0.047217 -0.667868
C -3.151584 0.856029 1.938695
C -3.924310 -0.070640 -0.179091
C 3.474387 1.173612 2.309602
C 4.603843 2.064389 0.337359
C 1.716713 -3.703249 -1.085947
C 0.366044 -4.407372 0.823816
C -4.207522 0.380304 1.132383
H 0.701581 2.027542 0.832371
H 0.876289 0.382245 1.494976
H -0.468480 -1.402718 -1.622827
H 1.229925 -0.932852 -1.514771
H 2.470501 1.432217 -0.928491
H 2.792447 -0.069779 -0.017507
H -0.442640 -1.965829 0.882027
H 1.341841 -1.787247 0.844093
H -1.030652 1.253163 2.093963
H -2.405370 -0.393605 -1.689216
H -1.473713 2.648790 -0.889844
H -0.742899 3.178736 -2.406383
H -3.354531 1.210793 2.955684
H -4.733778 -0.438741 -0.819512
H 4.126927 1.819547 2.923837
H 3.935400 0.151836 2.271829
H 2.503454 1.090848 2.827116
H 4.441317 2.579668 -0.625589
H 5.212711 1.145033 0.138872
H 5.197927 2.731125 0.988348
H 1.695607 -4.750938 -1.435624
H 2.670353 -3.546698 -0.516690
H 1.737908 -3.052212 -1.975413
H -0.583844 -4.226762 1.358142
H 1.198716 -4.361809 1.573299
H 0.337449 -5.432102 0.411397
H -5.233750 0.361394 1.515613


