%chk=000161865.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161865

0 1
 O   -3.400900     -0.5384000       1.649500    
 O   -3.182000       1.843700      -1.134300    
 O   -2.689300      -2.366400     -0.2354000    
 O   -1.584300       1.660700       2.126700    
 O    2.855800      -2.245100      -1.155700    
 O    1.476800       2.589400       1.264800    
 O   -3.024800       4.067500     -0.5286000    
 O   -1.574100      -2.206800       1.781500    
 O    5.434000      -1.516500     -0.7938000    
 N   4.6399999E-02  -2.640900      -1.374100    
 N  -2.3000001E-03  -3.612900      -1.876700    
 C   -3.462700     -0.1120000      0.2811000    
 C   -3.057500       1.383800      0.2117000    
 C   -2.487500     -0.9900000     -0.5500000    
 C   -1.608800       1.631600      0.7017000    
 C   -1.062000     -0.5963000     -0.3278000    
 C  -0.6734000      0.5607000      0.2438000    
 C   0.7863000      0.5563000      0.2488000    
 C   -4.905700     -0.3299000     -0.1910000    
 C   0.1107000      -1.358700     -0.7119000    
 C    1.231200     -0.6953000     -0.3759000    
 C    1.671900       1.473200      0.7078000    
 C    2.621700      -1.034900     -0.5482000    
 C    3.145400       1.126200      0.5373000    
 C    3.558300     -0.1620000     -0.1100000    
 C   -2.883900       3.160100      -1.337300    
 C   -2.407900      -2.725800       1.051700    
 C    4.146300       1.942100      0.9497000    
 C    5.018500     -0.4869000     -0.2731000    
 C   -2.345300       3.347500      -2.723300    
 C   -3.282900      -3.872200       1.459600    
 C    5.546300       1.636500      0.7989000    
 C    5.985700      0.5116000      0.2326000    
 H   -3.752500       1.954200      0.8439000    
 H   -2.702700     -0.8724000      -1.619400    
 H   -1.223400       2.595000      0.3596000    
 H   -5.216500      -1.370000     -4.1999999E-02
 H   -5.600900      0.2844000      0.3926000    
 H   -5.031800     -8.0300003E-02  -1.249200    
 H   -4.003900      2.3499999E-02   2.165400    
 H   -2.150700       2.396900       2.414200    
 H    3.962400       2.899000       1.430600    
 H    3.813600      -2.384800      -1.226700    
 H   -3.097000       3.046200      -3.457000    
 H   -1.430200       2.762600      -2.846200    
 H   -2.107500       4.403500      -2.880500    
 H   -3.088600      -4.733400      0.8155000    
 H   -4.333300      -3.576300       1.401400    
 H   -3.056600      -4.150900       2.492700    
 H    6.256300       2.369100       1.169700    
 H    7.044000      0.3030000      0.1294000    


%chk=000161865-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000161865

0 1
O -3.391909 -0.282671 1.717590
O -2.975053 1.834106 -1.323970
O -2.942383 -2.314379 -0.174670
O -1.507098 1.716479 2.099624
O 3.039543 -2.172018 -1.155419
O 1.354411 2.312101 1.653783
O -3.308099 4.091528 -0.823795
O -1.397188 -2.517535 1.593744
O 5.475568 -1.572534 -0.719179
N 0.019678 -2.618873 -1.400045
N -0.038089 -3.673907 -1.904420
C -3.451867 0.074091 0.298602
C -2.922133 1.522927 0.133123
C -2.564895 -0.920370 -0.553430
C -1.463640 1.693627 0.616452
C -1.097373 -0.616496 -0.431129
C -0.597134 0.561512 0.137665
C 0.841035 0.479635 0.195726
C -4.922261 -0.051522 -0.117605
C 0.058881 -1.414594 -0.824510
C 1.266055 -0.718621 -0.419177
C 1.774406 1.360564 0.899240
C 2.658376 -1.084183 -0.544697
C 3.228339 1.035711 0.746808
C 3.636458 -0.148494 0.043444
C -3.183896 3.186119 -1.673055
C -2.438962 -2.890001 1.019114
C 4.194910 1.890047 1.309800
C 5.033432 -0.446091 -0.073289
C -3.226946 3.332917 -3.176425
C -3.325705 -4.041089 1.431127
C 5.576711 1.586405 1.176179
C 5.998605 0.434669 0.493901
H -3.559490 2.231754 0.690881
H -2.897700 -0.870156 -1.605868
H -1.078276 2.667766 0.260949
H -5.254270 -1.095076 0.010113
H -5.543789 0.591255 0.527685
H -5.066527 0.244430 -1.170891
H -2.625553 0.190045 2.163804
H -0.593626 2.000558 2.393177
H 3.857183 2.781094 1.847108
H 4.639631 -2.089809 -1.048430
H -4.018835 2.692223 -3.601171
H -2.268752 3.006829 -3.617167
H -3.416734 4.382967 -3.440152
H -3.735366 -4.564006 0.552556
H -4.174897 -3.631560 2.008643
H -2.765248 -4.736886 2.072955
H 6.324008 2.257025 1.612621
H 7.057165 0.181688 0.386182


