%chk=000100342.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100342

0 1
 O   -1.844500      -3.786400      0.6517000    
 N   -1.629600       1.861600     -0.5120000    
 N   -2.182100      -1.543300      0.3254000    
 N   0.7619000      -2.096900     -0.5061000    
 C   -2.445500      0.8469000     -8.9900002E-02
 C  -0.3445000      3.9500002E-02 -0.3688000    
 C   -1.691800     -0.3051000     -4.8700001E-02
 C  -0.3551000       1.387000     -0.6825000    
 C   -3.878700       1.067700      0.2030000    
 C   0.8249000     -0.8260000     -0.3014000    
 C   -2.045700       3.232700     -0.7224000    
 C   0.7375000       2.286800      -1.119000    
 C    2.138700     -0.2381000      5.9500001E-02
 C   -4.134300       1.410900       1.674000    
 C   -1.524900      -2.734700      9.4999999E-02
 C  -0.4636000      -2.715700     -0.9812000    
 C    2.193000      0.8717000      0.8976000    
 C    3.308800     -0.8001000     -0.4428000    
 C    3.428100       1.424400       1.236600    
 C    4.543900     -0.2475000     -0.1038000    
 C    4.603500      0.8647000      0.7358000    
 H   -4.307000       1.848700     -0.4352000    
 H   -4.444600      0.1597000     -4.1000001E-02
 H   -3.063900      -1.562200      0.8291000    
 H   -2.820100       3.504600     -2.7000001E-03
 H   -1.203800       3.911100     -0.5688000    
 H   -2.423200       3.318400      -1.744300    
 H    1.587000       1.753600      -1.552400    
 H   0.3877000       2.933300      -1.934000    
 H    1.073200       2.948100     -0.3151000    
 H   -3.789500      0.6049000       2.330600    
 H   -5.205400       1.556100       1.846500    
 H   -3.613100       2.328000       1.966700    
 H  -0.2429000      -3.753900      -1.254600    
 H  -0.8427000      -2.238000      -1.892600    
 H    1.311700       1.285400       1.378900    
 H    3.286200      -1.661500      -1.104900    
 H    3.476000       2.278500       1.905900    
 H    5.459300     -0.6825000     -0.4944000    
 H    5.565400       1.292500       1.003100    


%chk=000100342-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100342

0 1
O -1.898847 -3.862413 0.455366
N -1.710162 1.925060 -0.515202
N -1.986204 -1.541814 0.512967
N 0.813986 -2.033275 -0.662404
C -2.492451 0.846963 -0.052389
C -0.298782 0.153607 -0.366202
C -1.631620 -0.254914 0.041004
C -0.388238 1.518276 -0.730224
C -3.952228 0.954214 0.297005
C 0.874642 -0.744483 -0.359326
C -2.245230 3.247991 -0.860025
C 0.634135 2.440022 -1.335399
C 2.216944 -0.231546 0.071235
C -4.231328 1.482400 1.733243
C -1.504962 -2.752132 0.000733
C -0.474435 -2.596710 -1.133667
C 2.341391 0.833426 1.002956
C 3.396744 -0.856843 -0.415682
C 3.614840 1.266750 1.433141
C 4.668040 -0.418361 0.007117
C 4.783404 0.646850 0.933274
H -4.479916 1.595478 -0.436260
H -4.402785 -0.051142 0.190344
H -2.688401 -1.631762 1.252658
H -3.047461 3.526057 -0.158088
H -1.448145 4.004066 -0.786254
H -2.653604 3.267095 -1.888372
H 1.563155 1.886877 -1.536793
H 0.283758 2.870508 -2.293447
H 0.898231 3.282650 -0.666003
H -3.754929 0.834490 2.490983
H -5.317397 1.511195 1.937118
H -3.830391 2.502904 1.875652
H -0.288537 -3.604895 -1.532358
H -0.933086 -1.961179 -1.925331
H 1.437071 1.303292 1.405497
H 3.286341 -1.693245 -1.112811
H 3.695420 2.080638 2.162804
H 5.569478 -0.906457 -0.380424
H 5.771862 0.985258 1.264364


