%chk=000064289.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064289

0 1
 O    5.309900      0.7473000      -2.558800    
 O   -6.696100       1.887400     -0.1159000    
 O   -4.553300       2.431100     -0.6031000    
 N   -2.855400      0.5318000      0.5497000    
 C    2.851300      2.7100001E-02  0.2485000    
 C    4.880700      0.3273000      -1.270700    
 C    5.140600      0.6866000       1.199900    
 C    4.792200      -1.635800      0.3039000    
 C    3.356900      0.5057000      -1.143400    
 C    3.616600      0.8586000       1.325000    
 C    3.268700      -1.461900      0.4384000    
 C    5.588500       1.156900     -0.1895000    
 C    5.235000      -1.156900      -1.086700    
 C    5.497900     -0.7959000       1.378000    
 C    1.322900      0.1616000      0.3297000    
 C   0.7448000      0.9733000       1.305800    
 C   0.5129000     -0.5270000     -0.5736000    
 C  -0.6427000       1.096100       1.379000    
 C  -0.8747000     -0.4041000     -0.5007000    
 C   -1.452600      0.4075000      0.4757000    
 C   -3.909100     -0.3447000      0.2251000    
 C   -5.145600      0.1433000     -0.2056000    
 C   -3.710100      -1.723000      0.3365000    
 C   -6.176000     -0.7418000     -0.5226000    
 C   -4.740600      -2.607900      1.9400001E-02
 C   -5.389000       1.574500     -0.3337000    
 C   -5.973500      -2.117300     -0.4102000    
 H    5.643400       1.281900       1.970300    
 H    5.054400      -2.692100      0.4314000    
 H    2.867200     -4.1999999E-02  -1.959300    
 H    3.090000       1.559100      -1.308600    
 H    3.315500      0.5502000       2.335200    
 H    3.379400       1.926400       1.226800    
 H    2.779700      -2.107000     -0.3023000    
 H    2.940400      -1.821700       1.422800    
 H    5.366400       2.223100     -0.3260000    
 H    6.677400       1.065500     -0.2945000    
 H    6.314900      -1.305600      -1.216500    
 H    4.757700      -1.762000      -1.868500    
 H    6.584100     -0.9311000       1.306100    
 H    5.200100      -1.137000       2.377000    
 H    4.845800      0.2081000      -3.221600    
 H    1.324300       1.530800       2.032600    
 H   0.9360000      -1.161800      -1.346500    
 H   -1.081900       1.730700       2.144600    
 H   -1.479400     -0.9336000      -1.231800    
 H   -3.162100       1.415900      0.9453000    
 H   -2.769500      -2.135800      0.6912000    
 H   -7.144000     -0.3938000     -0.8736000    
 H   -4.584800      -3.678800      0.1114000    
 H   -6.775000      -2.806900     -0.6590000    
 H   -6.859900       2.850800     -0.2025000    


%chk=000064289-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064289

0 1
O 5.500382 0.624934 -2.581318
O -6.951778 1.904305 -0.007281
O -4.777746 2.483087 0.519980
N -2.906114 0.583550 0.349978
C 2.907281 0.027242 0.238440
C 4.985128 0.209651 -1.258507
C 5.169328 0.763869 1.189933
C 4.846226 -1.638825 0.467457
C 3.449514 0.396590 -1.186235
C 3.630182 0.946319 1.268146
C 3.307465 -1.455040 0.548629
C 5.670180 1.131368 -0.231936
C 5.339341 -1.267632 -0.959181
C 5.535211 -0.711218 1.502966
C 1.375682 0.179376 0.278764
C 0.707199 1.041303 1.186245
C 0.560444 -0.562139 -0.619666
C -0.698808 1.141117 1.212040
C -0.843636 -0.463810 -0.616471
C -1.499263 0.384735 0.317094
C -3.927297 -0.317842 0.072838
C -5.294332 0.155969 -0.026950
C -3.697747 -1.722744 -0.076377
C -6.344720 -0.763842 -0.312279
C -4.755639 -2.602034 -0.346798
C -5.604347 1.572779 0.184266
C -6.089990 -2.130905 -0.484166
H 5.649896 1.432290 1.930456
H 5.100234 -2.695258 0.682529
H 2.964975 -0.241658 -1.953704
H 3.195816 1.447049 -1.425741
H 3.284634 0.705338 2.293539
H 3.372741 2.006625 1.072130
H 2.808685 -2.136801 -0.168126
H 2.941050 -1.726774 1.558212
H 5.433182 2.184282 -0.476438
H 6.767310 1.011235 -0.308399
H 6.434668 -1.403697 -1.044181
H 4.860745 -1.928867 -1.712603
H 6.634325 -0.846310 1.464570
H 5.205928 -0.976995 2.527094
H 5.080404 0.051976 -3.274131
H 1.281564 1.643674 1.895650
H 1.028552 -1.223265 -1.359084
H -1.187375 1.805047 1.935093
H -1.424747 -1.009814 -1.365517
H -3.245074 1.535270 0.583729
H -2.689246 -2.118045 0.063026
H -7.362162 -0.370266 -0.386508
H -4.544184 -3.673519 -0.441087
H -6.905827 -2.826073 -0.703345
H -7.057943 2.877491 0.167327


