%chk=000168716.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168716

0 1
 O  -6.6699997E-02   1.456300      0.4437000    
 O    2.340700       2.900100      0.5803000    
 N    2.622400     -0.5778000     -0.6569000    
 N   -4.793300      -1.386400     -0.2657000    
 C    2.705700      0.5508000      0.2601000    
 C    2.162500       1.839200     -0.3625000    
 C    3.196900      -1.776600     -6.1200000E-02
 C   0.6827000       1.754900     -0.7301000    
 C    3.092600      -2.949800      -1.027000    
 C    2.518100      -2.092000       1.266000    
 C   -1.230500      0.7563000      0.2691000    
 C   -1.950200      0.8994000     -0.9123000    
 C   -1.682300     -9.1300003E-02   1.274800    
 C   -3.135900      0.1864000      -1.090100    
 C   -2.867900     -0.8043000       1.097100    
 C   -3.594700     -0.6654000     -8.5400000E-02
 H    2.146100      0.3774000       1.185400    
 H    3.747700      0.7250000      0.5597000    
 H    2.744900       2.101000      -1.253200    
 H    4.265400      -1.610900      0.1291000    
 H    3.107700     -0.3555000      -1.525500    
 H   0.5586000      0.9947000      -1.511100    
 H   0.3462000       2.726900      -1.109800    
 H    3.555900      -3.846800     -0.6021000    
 H    2.047700      -3.187500      -1.256300    
 H    3.604000      -2.729800      -1.970800    
 H    2.821600      -1.409600       2.066300    
 H    2.797000      -3.096500       1.606100    
 H    1.425400      -2.073600       1.180500    
 H    1.788600       2.702800       1.356400    
 H   -1.644400       1.574000      -1.706000    
 H   -1.118200     -0.2031000       2.196500    
 H   -3.697000      0.3079000      -2.013200    
 H   -3.214600      -1.465400       1.887200    
 H   -5.127100      -2.003800      0.4625000    
 H   -5.320800      -1.285400      -1.122600    


%chk=000168716-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168716

0 1
O -0.038529 0.999198 0.438100
O 1.959147 2.901844 0.540094
N 3.272516 -0.450032 -0.611731
N -5.405371 -0.807943 0.280247
C 2.914045 0.614075 0.352776
C 2.099835 1.733433 -0.342284
C 3.525249 -1.807488 -0.049290
C 0.722592 1.240727 -0.803630
C 4.302033 -2.636909 -1.092083
C 2.191857 -2.495968 0.318295
C -1.373832 0.550757 0.315921
C -2.023088 0.291470 -0.913498
C -2.073804 0.354031 1.529750
C -3.361586 -0.159408 -0.922871
C -3.406076 -0.095260 1.518898
C -4.077491 -0.360961 0.288696
H 2.290676 0.175688 1.152073
H 3.793667 1.089404 0.842483
H 2.658780 2.103876 -1.221682
H 4.150604 -1.743857 0.876573
H 4.047419 -0.155131 -1.221711
H 0.835829 0.303142 -1.380937
H 0.209031 2.016233 -1.405844
H 4.472260 -3.664748 -0.726159
H 3.727589 -2.693733 -2.035466
H 5.289636 -2.186931 -1.312173
H 1.595006 -1.885491 1.019372
H 2.378804 -3.476147 0.795356
H 1.586102 -2.651463 -0.592867
H 1.223619 2.688001 1.173294
H -1.504549 0.432134 -1.866393
H -1.560440 0.557236 2.475258
H -3.853554 -0.356429 -1.883357
H -3.933746 -0.241934 2.469340
H -5.913062 -0.945443 1.148251
H -5.886370 -0.994371 -0.593799


