%chk=000090346.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090346

0 1
 O   0.2248000      0.7453000      0.6450000    
 N    3.056600      -1.453900     -8.8999998E-03
 C   -3.304200     -0.3836000      2.2299999E-02
 C   -2.126700      0.5662000      0.2304000    
 C   -4.594300      0.3845000     -0.2641000    
 C  -0.8295000     -0.1917000      0.4746000    
 C   -5.762200     -0.5586000     -0.5055000    
 C    1.479300      0.3399000      0.2699000    
 C    2.405100       1.258500     -0.1900000    
 C    1.837700     -0.9884000      0.3450000    
 C    3.670000      0.8179000     -0.5636000    
 C    3.943400     -0.5360000     -0.4551000    
 H   -3.436600      -1.007700      0.9143000    
 H   -3.088000      -1.058500     -0.8149000    
 H   -2.323300       1.235500       1.077300    
 H   -2.005600       1.217500     -0.6445000    
 H   -4.830500       1.043000      0.5798000    
 H   -4.460900       1.021900      -1.146000    
 H  -0.6539000     -0.8451000     -0.3901000    
 H  -0.9155000     -0.8038000       1.379900    
 H   -5.570900      -1.208200      -1.365600    
 H   -5.942900      -1.191100      0.3696000    
 H   -6.674500      1.1600000E-02 -0.7067000    
 H    2.154600       2.312600     -0.2615000    
 H    1.175700      -1.761300      0.7199000    
 H    4.418000       1.512400     -0.9282000    
 H    4.915000     -0.9304000     -0.7337000    


%chk=000090346-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090346

0 1
O 0.232651 0.776020 -0.114653
N 3.233115 -1.457892 0.110569
C -3.405387 -0.384989 -0.060547
C -2.177638 0.553506 -0.119934
C -4.745172 0.380864 -0.153049
C -0.860740 -0.219174 -0.033185
C -5.973229 -0.553112 -0.101228
C 1.548160 0.308277 -0.064422
C 2.566720 1.290419 -0.157491
C 1.928103 -1.054646 0.069191
C 3.911014 0.875902 -0.114732
C 4.203043 -0.504642 0.019571
H -3.385471 -0.969568 0.882900
H -3.351954 -1.123477 -0.887630
H -2.220008 1.285496 0.709158
H -2.191031 1.133509 -1.062618
H -4.801837 1.116560 0.674572
H -4.763777 0.967968 -1.093532
H -0.763744 -0.940264 -0.871224
H -0.783552 -0.773628 0.925007
H -5.955221 -1.278861 -0.936023
H -5.995093 -1.128816 0.843285
H -6.917370 0.017415 -0.170450
H 2.285707 2.342840 -0.260864
H 1.183605 -1.853703 0.145971
H 4.722884 1.606985 -0.184566
H 5.236921 -0.864487 0.055528


