%chk=000128326.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128326

0 1
 O    1.937700       1.482800     -1.5799999E-02
 O   0.2970000       3.106800      6.8800002E-02
 O    1.324200      -2.273200      0.3346000    
 O    1.345300      -1.236400      -1.726500    
 N   -1.133500       1.478300       1.676300    
 C  -0.9911000      0.1743000     -0.3451000    
 C   -2.449500      0.5221000      1.7700000E-02
 C  -0.1709000      0.8552000      0.7666000    
 C   -2.383000      0.7375000       1.524000    
 C  -0.6804000      -1.325200     -0.3844000    
 C   -3.502700     -0.4498000     -0.3988000    
 C   0.6856000       1.959100      0.2382000    
 C   0.7678000      -1.584300     -0.7056000    
 C   -4.121300     -0.2182000      -1.745500    
 C   -3.874400      -1.472100      0.3860000    
 C    2.867500       2.441200     -0.5305000    
 C    2.709200      -2.602000      0.1854000    
 C    4.200900       1.761700     -0.7583000    
 C    3.171600      -3.357900       1.412700    
 H  -0.7610000      0.6035000      -1.329900    
 H   -2.686400       1.498700     -0.4329000    
 H   0.4413000      0.1622000       1.353800    
 H   -2.296600     -0.1760000       2.119100    
 H   -3.233600       1.314100       1.902300    
 H   -1.307400       2.442800       1.389200    
 H   -1.264500      -1.835200      -1.158900    
 H  -0.9347000      -1.800400      0.5709000    
 H   -4.863700     -0.9834000      -1.995600    
 H   -3.352200     -0.2349000      -2.524700    
 H   -4.623800      0.7541000      -1.772500    
 H   -4.645700      -2.161700      5.4600000E-02
 H   -3.441400      -1.691200       1.352500    
 H    2.986400       3.258100      0.1900000    
 H    2.490400       2.843200      -1.477500    
 H    2.842700      -3.225100     -0.7059000    
 H    3.292500      -1.680700      7.6200001E-02
 H    4.093500      0.9296000      -1.462100    
 H    4.582300       1.338700      0.1769000    
 H    4.937200       2.466800      -1.153900    
 H    2.584500      -4.272600       1.545800    
 H    3.027100      -2.753500       2.314300    
 H    4.228900      -3.625100       1.332100    


%chk=000128326-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128326

0 1
O 1.888363 1.377327 0.061041
O 0.426638 3.121698 0.571635
O 1.420357 -2.205899 0.447312
O 1.128497 -1.550593 -1.772152
N -1.211699 1.314185 2.018500
C -1.001246 0.113407 -0.154515
C -2.494636 0.518652 0.139296
C -0.208257 0.783681 1.061124
C -2.503309 0.659185 1.686977
C -0.764380 -1.422540 -0.195878
C -3.546195 -0.363475 -0.520212
C 0.704678 1.897303 0.566451
C 0.661119 -1.725401 -0.621767
C -3.653567 -0.221305 -2.030739
C -4.356488 -1.208803 0.172293
C 2.826272 2.348972 -0.587040
C 2.870102 -2.449849 0.167412
C 3.965161 1.526143 -1.179301
C 3.470489 -3.040717 1.438804
H -0.669193 0.532558 -1.122093
H -2.613224 1.544868 -0.273041
H 0.420478 0.007038 1.534161
H -2.549736 -0.333948 2.173272
H -3.349997 1.258615 2.061244
H -1.265451 2.341875 1.934324
H -1.443683 -1.876849 -0.938442
H -0.971016 -1.876947 0.787345
H -4.421537 -0.892147 -2.452210
H -2.689667 -0.446033 -2.528601
H -3.915186 0.818889 -2.308202
H -5.109122 -1.819641 -0.340208
H -4.307003 -1.312900 1.261362
H 3.167516 3.062893 0.184170
H 2.264545 2.910266 -1.355256
H 2.948008 -3.131989 -0.698275
H 3.325322 -1.481980 -0.109333
H 3.576090 0.786423 -1.899871
H 4.519373 0.991154 -0.388427
H 4.672806 2.191915 -1.706071
H 2.979876 -3.993849 1.700224
H 3.356086 -2.346139 2.288485
H 4.548614 -3.234144 1.289804


