%chk=000084860.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084860

0 1
 O   0.1193000      -2.363500     -0.8726000    
 O    3.264000       1.820900      0.8653000    
 O   -1.149600      -1.159500       2.008400    
 N    4.320500     -4.1000001E-02 -0.9606000    
 C   0.4198000     -0.3893000      0.4546000    
 C   0.8886000      -1.326600     -0.4368000    
 C    1.187500      0.6631000      0.9006000    
 C    2.494900      0.7835000      0.4294000    
 C    2.999100     -0.1510000     -0.4751000    
 C  -0.9774000     -0.4998000      0.9725000    
 C    2.195900      -1.206000     -0.9082000    
 C   -2.107000      0.1308000      0.3085000    
 C   -1.906900      0.8712000     -0.8564000    
 C   -3.390900     -4.9999999E-03  0.8367000    
 C   -2.990700       1.475800      -1.493300    
 C   -4.474700      0.5993000      0.1997000    
 C   -4.274700       1.339800     -0.9653000    
 C   0.1666000      -3.569300     -0.1128000    
 C    3.215800       3.026500      0.1054000    
 H   0.7932000       1.389100       1.606000    
 H    2.583200      -1.937000      -1.614400    
 H  -0.9255000       1.002400      -1.301800    
 H   -3.573900     -0.5765000       1.742800    
 H    4.679400     -0.7248000      -1.613600    
 H    4.914600      0.7116000     -0.6391000    
 H   -2.835600       2.052500      -2.400600    
 H   -5.474500      0.4936000      0.6107000    
 H   -5.118500       1.810400      -1.461300    
 H  -0.5681000      -4.264200     -0.5286000    
 H  -8.0300003E-02  -3.388100      0.9373000    
 H    1.159100      -4.024500     -0.1886000    
 H    3.525100       2.848200     -0.9292000    
 H    3.906000       3.744000      0.5575000    
 H    2.207000       3.450800      0.1269000    


%chk=000084860-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084860

0 1
O 0.654114 -3.108035 -0.763394
O 3.032240 1.952005 -0.038322
O -1.528506 -1.962553 0.849092
N 4.496337 -0.124084 -0.843346
C 0.349235 -0.739756 -0.063614
C 1.178032 -1.830584 -0.474126
C 0.964622 0.545549 0.070042
C 2.329315 0.733577 -0.170030
C 3.154709 -0.359800 -0.596610
C -1.090608 -0.909151 0.279105
C 2.547631 -1.630756 -0.747269
C -2.063547 0.203713 -0.033427
C -1.891631 1.087756 -1.132565
C -3.236993 0.308739 0.760410
C -2.871442 2.063136 -1.423450
C -4.206517 1.292142 0.479768
C -4.025890 2.174076 -0.613781
C 0.612833 -4.060860 0.368647
C 2.268272 3.120716 0.397073
H 0.345285 1.383822 0.401598
H 3.132189 -2.484932 -1.105984
H -1.010339 0.986843 -1.774793
H -3.369563 -0.400988 1.583809
H 5.114173 -0.869404 -1.148657
H 4.859819 0.817125 -0.714816
H -2.740224 2.728103 -2.284577
H -5.103680 1.370658 1.103858
H -4.783398 2.933689 -0.838361
H 0.254422 -5.007395 -0.064676
H -0.092464 -3.694920 1.133535
H 1.627027 -4.200329 0.794602
H 1.463630 3.363741 -0.323854
H 2.993259 3.947016 0.437689
H 1.828959 2.958542 1.400428


