%chk=000147955.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147955

0 1
 O   -5.364300       1.641500     -0.6286000    
 N    5.037900      0.1181000     -0.1084000    
 N  -0.5110000     -0.1162000      0.5972000    
 N   -1.063300     -0.4764000     -0.4688000    
 N   -6.613000     -0.7269000      0.2372000    
 C    5.836200       1.061000      0.6494000    
 C    5.695900     -0.7734000      -1.042800    
 C    3.640200      5.9400000E-02  7.1000002E-02
 C    2.856600       1.185000     -0.1835000    
 C    3.041300      -1.124600      0.5008000    
 C    6.277900      0.4372000       1.959300    
 C    5.739800     -0.1445000      -2.422100    
 C    1.474100       1.126500     -7.8999996E-03
 C    1.658700      -1.183200      0.6763000    
 C   0.8751000     -5.7700001E-02  0.4219000    
 C   -2.456300     -0.5353000     -0.2921000    
 C   -4.615800      0.5312000     -0.3737000    
 C   -5.214700     -0.6529000      5.6299999E-02
 C   -3.233300      0.5902000     -0.5483000    
 C   -3.048200      -1.719100      0.1370000    
 C   -4.430900      -1.778100      0.3116000    
 C   -5.583100       2.538300      0.4582000    
 H    6.723500       1.352800      7.4699998E-02
 H    5.288200       1.988500      0.8518000    
 H    6.721000     -0.9795000     -0.7117000    
 H    5.195300      -1.746700      -1.100000    
 H    3.305500       2.112500     -0.5295000    
 H    3.637400      -2.008000      0.7144000    
 H    5.417600      0.1710000       2.582300    
 H    6.862600     -0.4733000       1.790400    
 H    6.899700       1.139300       2.523600    
 H    4.731100      3.6699999E-02  -2.808100    
 H    6.268700      0.8143000      -2.406200    
 H    6.257100     -0.8055000      -3.124700    
 H   0.8717000       2.008300     -0.2105000    
 H    1.201500      -2.109600       1.014400    
 H   -2.767600       1.513300     -0.8851000    
 H   -2.444900      -2.600500      0.3373000    
 H   -4.884900      -2.707200      0.6470000    
 H   -7.190300      7.9499997E-02  3.9400000E-02
 H   -7.039400      -1.590200      0.5466000    
 H   -6.084300       2.030600       1.288300    
 H   -6.225000       3.351100      0.1074000    
 H   -4.633900       2.964400      0.7981000    


%chk=000147955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147955

0 1
O -5.931065 1.547177 0.732391
N 5.133414 0.084411 -0.120826
N -0.477367 -0.901457 -0.253100
N -1.293744 0.075118 0.092788
N -6.880945 -0.819546 -0.037652
C 5.706066 1.413942 0.170887
C 6.093290 -1.005209 -0.387930
C 3.751009 -0.134652 -0.143583
C 2.824919 0.901966 0.225899
C 3.198212 -1.398883 -0.535530
C 5.894791 1.689777 1.681978
C 6.402936 -1.204294 -1.891040
C 1.442407 0.689519 0.199209
C 1.811021 -1.603985 -0.551851
C 0.902245 -0.572396 -0.190292
C -2.675714 -0.252484 0.026550
C -4.950179 0.591340 0.379671
C -5.501428 -0.668071 -0.027755
C -3.565556 0.796326 0.406010
C -3.212917 -1.507338 -0.378527
C -4.602331 -1.705672 -0.403769
C -5.453410 2.858824 1.166248
H 6.686432 1.477425 -0.338254
H 5.073177 2.197571 -0.284928
H 7.030446 -0.769270 0.151035
H 5.714909 -1.946092 0.052492
H 3.196942 1.878283 0.550326
H 3.852123 -2.219603 -0.842970
H 4.930280 1.645950 2.216690
H 6.567373 0.939884 2.136519
H 6.337428 2.690709 1.841944
H 5.486866 -1.449028 -2.455847
H 6.833845 -0.285260 -2.328128
H 7.130029 -2.025731 -2.032183
H 0.747070 1.485275 0.484912
H 1.394255 -2.570643 -0.855452
H -3.120609 1.747790 0.712117
H -2.519237 -2.302433 -0.666566
H -5.015020 -2.672904 -0.716822
H -7.461421 -0.033802 0.244743
H -7.311450 -1.694243 -0.319999
H -4.823298 2.773313 2.072818
H -6.358451 3.441586 1.393985
H -4.876942 3.358711 0.363691


