%chk=000131580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131580

0 1
 O    2.300900      -4.394100     -0.4263000    
 O    3.232500      -1.823800      8.0799997E-02
 O   -4.776100      8.5699998E-02  -1.606300    
 O    4.856300       3.264800       1.467800    
 N  -0.2781000      -1.733800     -0.2747000    
 N   -2.762900     -0.4475000      0.2997000    
 C   -1.017800      -1.040300      -1.336500    
 C   -1.218900      -2.328200      0.6827000    
 C   -1.890200      7.6399997E-02 -0.7584000    
 C   -2.099100      -1.254900       1.327800    
 C   0.5928000      -2.761700     -0.8437000    
 C    1.459200      -3.436500      0.2223000    
 C   -3.912700      0.2812000      0.6246000    
 C    2.341400      -2.457200      0.9935000    
 C   -4.915900      0.5451000     -0.3308000    
 C   -4.099800      0.7755000       1.931500    
 C   -6.057300       1.272200      7.0000002E-03
 C   -5.241300       1.502700       2.269200    
 C    3.615300     -0.5442000      0.3824000    
 C   -6.220000       1.751200       1.307000    
 C    3.345100      0.5207000     -0.4896000    
 C    3.761400       1.825600     -0.1337000    
 C    4.284900     -0.3322000       1.586200    
 C    4.434800       2.024100       1.082700    
 C    2.671500      0.3224000      -1.705900    
 C   -5.826700      0.3875000      -2.522000    
 C    4.694100      0.9511000       1.936100    
 C    3.492100       2.893900      -1.004700    
 C    2.412600       1.395400      -2.559200    
 C    2.822100       2.678700      -2.209300    
 H  -0.3195000     -0.5919000      -2.052600    
 H   -1.648400      -1.745500      -1.894700    
 H  -0.7043000      -2.824400       1.510200    
 H   -1.853700      -3.077700      0.1910000    
 H   -2.443100      0.5395000      -1.580900    
 H   -1.251300      0.8617000     -0.3327000    
 H   -1.483600     -0.6102000       1.968600    
 H   -2.839400      -1.758000       1.962600    
 H   1.7000000E-03  -3.534600      -1.355900    
 H    1.237000      -2.350800      -1.625300    
 H   0.8488000      -4.013600      0.9228000    
 H    1.730900      -1.726600       1.538200    
 H    2.948800      -3.009000       1.720500    
 H   -3.354200      0.6149000       2.706100    
 H    2.832400      -4.831500      0.2606000    
 H   -6.859000       1.504700     -0.6853000    
 H   -5.366900       1.878400       3.280400    
 H   -7.107900       2.318300       1.571000    
 H    4.504200      -1.157600       2.257800    
 H    2.369900     -0.6650000      -2.032100    
 H    5.217800       1.110200       2.875000    
 H   -5.924300       1.466400      -2.684100    
 H   -5.549600     -5.3300001E-02  -3.485400    
 H   -6.771600     -7.7799998E-02  -2.221100    
 H    3.773500       3.918000     -0.7771000    
 H    1.897000       1.227400      -3.500300    
 H    2.617900       3.513400      -2.873700    
 H    5.032200       3.818500      0.6916000    


%chk=000131580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131580

0 1
O 2.328183 -3.714182 -0.281415
O 2.826961 -0.983724 -0.175857
O -5.195391 0.585469 -1.126684
O 6.095958 3.540528 0.737751
N -0.869448 -1.708275 0.024281
N -3.564049 -0.844176 0.638960
C -1.553556 -0.691342 -0.815443
C -1.867429 -2.643361 0.596730
C -2.582272 0.084783 0.020314
C -2.906150 -1.889983 1.446943
C 0.248720 -2.402247 -0.657468
C 1.358747 -2.804459 0.346385
C -4.817793 -0.342641 1.075996
C 2.068040 -1.583204 0.942625
C -5.678893 0.392922 0.186087
C -5.312644 -0.600206 2.384976
C -6.941222 0.854215 0.616074
C -6.587322 -0.158142 2.805363
C 3.623871 0.144332 0.093175
C -7.403244 0.578910 1.925618
C 4.359083 0.660909 -1.033353
C 5.212734 1.817519 -0.849320
C 3.723261 0.754651 1.347967
C 5.293623 2.416184 0.461761
C 4.268046 0.061940 -2.330827
C -6.086403 1.232224 -2.090402
C 4.561818 1.892700 1.526883
C 5.938848 2.317694 -1.980257
C 4.990118 0.573274 -3.411951
C 5.834695 1.711992 -3.234897
H -0.796055 0.013821 -1.204346
H -2.078067 -1.159381 -1.684861
H -1.353154 -3.384038 1.236787
H -2.403124 -3.203457 -0.210685
H -3.120248 0.795501 -0.622863
H -2.044330 0.650971 0.816182
H -2.395642 -1.460438 2.342446
H -3.668124 -2.609997 1.794601
H -0.078245 -3.323769 -1.192253
H 0.687215 -1.719713 -1.409195
H 0.917429 -3.389311 1.173273
H 1.318477 -0.866499 1.329477
H 2.773142 -1.887299 1.740453
H -4.680612 -1.141048 3.095461
H 2.950234 -3.151789 -0.813588
H -7.584675 1.412529 -0.070705
H -6.927947 -0.379867 3.822631
H -8.388766 0.936734 2.241413
H 3.164810 0.375385 2.207314
H 3.614549 -0.805541 -2.458011
H 4.643883 2.371364 2.506628
H -6.314879 2.275946 -1.797911
H -5.531442 1.227715 -3.040586
H -7.030715 0.665725 -2.207039
H 6.594548 3.193946 -1.881872
H 4.910421 0.104207 -4.398393
H 6.398973 2.110249 -4.084856
H 6.590953 3.837451 -0.064120


