%chk=000158038.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158038

0 1
 O   0.1960000     -0.1663000      -1.049200    
 O   -4.618400      -1.711800       1.243500    
 O   -2.575900      -2.291200      0.6857000    
 N    2.043600       1.523100      9.6400000E-02
 N   -3.500000      -1.445900      0.7433000    
 C   -2.049300      0.2037000     -0.3445000    
 C  -0.9248000     -0.7865000     -0.4270000    
 C    1.432800     -0.6288000     -0.6957000    
 C    2.361300      0.2321000     -0.1171000    
 C    3.624400     -0.2908000      0.2307000    
 C   -3.272200     -0.1420000      0.2231000    
 C    1.728500      -1.973600     -0.9316000    
 C    3.922100      -1.643500     -6.3000000E-03
 C   -1.844200       1.484300     -0.8504000    
 C    2.974600      -2.482000     -0.5866000    
 C    4.559400      0.5753000      0.8135000    
 C   -4.298700      0.8004000      0.2852000    
 C   -2.870600       2.426700     -0.7883000    
 C   -4.098000       2.084800     -0.2205000    
 C    4.234900       1.905900       1.034700    
 C    2.974400       2.325900      0.6611000    
 H  -0.6273000      -1.095500      0.5827000    
 H   -1.203900      -1.633100      -1.063500    
 H   0.9984000      -2.632600      -1.393300    
 H    4.894800      -2.051500      0.2596000    
 H  -0.9105000       1.803500      -1.302800    
 H    3.209200      -3.526000     -0.7702000    
 H    5.546100      0.2173000       1.098400    
 H   -5.269000      0.5733000      0.7194000    
 H   -2.715100       3.427100      -1.181900    
 H   -4.896900       2.819000     -0.1724000    
 H    4.945600       2.589300       1.484200    
 H    2.664400       3.355100      0.8097000    


%chk=000158038-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158038

0 1
O 0.197192 0.068509 -0.025144
O -5.160280 -2.008550 -0.309331
O -2.953247 -2.555680 -0.283653
N 2.356819 1.688827 0.145342
N -3.912913 -1.682880 -0.257593
C -2.197551 0.180360 -0.097991
C -1.005825 -0.765467 -0.115442
C 1.435395 -0.564315 -0.029281
C 2.575877 0.322660 0.062252
C 3.902291 -0.261152 0.062651
C -3.556008 -0.247483 -0.164366
C 1.620798 -1.952610 -0.114481
C 4.063809 -1.681785 -0.025469
C -1.968638 1.577747 -0.011782
C 2.939458 -2.501773 -0.111815
C 5.013557 0.640095 0.153679
C -4.637371 0.666743 -0.146190
C -3.038850 2.496929 0.006624
C -4.378270 2.044867 -0.060593
C 4.786153 2.014704 0.236717
C 3.436309 2.491205 0.228982
H -1.046730 -1.475714 0.733242
H -0.988321 -1.367628 -1.044814
H 0.765782 -2.630817 -0.183868
H 5.072564 -2.109731 -0.023842
H -0.932006 1.920074 0.040112
H 3.055580 -3.588847 -0.179097
H 6.031920 0.234405 0.156948
H -5.654984 0.271946 -0.199951
H -2.824498 3.568874 0.073785
H -5.208744 2.757586 -0.046463
H 5.613631 2.727545 0.307104
H 3.232801 3.567055 0.293626


