%chk=000125884.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125884

0 1
 O    3.957300       2.040900     -0.9163000    
 N   -2.067600      0.1069000      0.5542000    
 C  -0.6932000      0.2345000      7.1999997E-02
 C   0.2405000     -0.8294000      0.6999000    
 C  -0.1686000       1.646900      0.3412000    
 C    1.204700       1.839100     -0.3008000    
 C    1.686300     -0.5968000      0.2885000    
 C    2.139100      0.6672000     -0.1346000    
 C   0.1578000     -0.8984000       2.234600    
 C   -2.574400      -1.240700      0.2998000    
 C   -2.926000       1.105300     -8.1699997E-02
 C    2.600400      -1.662500      0.3621000    
 C    3.489900      0.8344000     -0.4806000    
 C   -2.587500      -1.527700      -1.199500    
 C   -4.366900      0.9473000      0.3972000    
 C    3.940100      -1.479900      2.1800000E-02
 C    4.385200     -0.2312000     -0.3985000    
 C   -3.131600      -2.917400      -1.492700    
 C   -5.285400       1.961500     -0.2666000    
 H  -0.6483000      0.1280000      -1.019900    
 H  -1.9300001E-02  -1.815200      0.2945000    
 H  -0.1060000       1.837100       1.419900    
 H  -0.7864000       2.442800     -8.2300000E-02
 H    1.643900       2.741900      0.1408000    
 H    1.069200       2.016100      -1.375800    
 H  -0.8592000      -1.076400       2.594400    
 H   0.7768000      -1.716400       2.621200    
 H   0.5224000      2.2900000E-02   2.702000    
 H   -3.561100      -1.403200      0.7445000    
 H   -1.986600      -2.006600      0.8158000    
 H   -2.863600       1.118500      -1.175700    
 H   -2.653600       2.110300      0.2548000    
 H    2.270500      -2.645400      0.6906000    
 H   -3.219000     -0.8294000      -1.756000    
 H   -1.589500      -1.502500      -1.645000    
 H   -4.796900     -2.3399999E-02  0.1370000    
 H   -4.426300       1.059000       1.486600    
 H    4.634600      -2.312500      8.4600002E-02
 H    5.429200     -9.4499998E-02 -0.6667000    
 H   -2.518200      -3.688000      -1.014600    
 H   -4.159100      -3.021000      -1.129100    
 H   -3.133500      -3.106700      -2.570900    
 H   -4.973700       2.984900     -3.3799998E-02
 H   -5.284100       1.840900      -1.354800    
 H   -6.313300       1.832900      8.7700002E-02
 H    3.228700       2.633900      -1.155300    


%chk=000125884-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125884

0 1
O 4.132790 2.110908 -0.864338
N -2.089071 0.070549 0.383763
C -0.659699 0.268004 -0.025198
C 0.279075 -0.785517 0.644169
C -0.131493 1.682220 0.319612
C 1.273714 1.912345 -0.284115
C 1.743775 -0.556209 0.259392
C 2.214580 0.723787 -0.134260
C 0.130717 -0.828994 2.192246
C -2.590945 -1.316065 0.164774
C -3.009934 1.111392 -0.155781
C 2.652119 -1.642577 0.335068
C 3.596032 0.875345 -0.442908
C -2.657246 -1.824502 -1.304057
C -4.481490 0.956219 0.287372
C 4.019409 -1.467012 0.032876
C 4.502284 -0.200479 -0.357351
C -3.257958 -3.245086 -1.380749
C -5.306086 2.215606 -0.059494
H -0.551747 0.147446 -1.137143
H 0.007330 -1.787118 0.256441
H -0.109186 1.801512 1.418111
H -0.796259 2.467682 -0.077209
H 1.703044 2.820044 0.195307
H 1.163569 2.151447 -1.364509
H -0.930705 -0.919516 2.479728
H 0.695792 -1.682992 2.606962
H 0.530968 0.087730 2.660326
H -3.602462 -1.381594 0.605448
H -1.970437 -2.015514 0.754233
H -2.974250 1.165412 -1.276117
H -2.670569 2.094030 0.216159
H 2.280314 -2.631040 0.631018
H -3.268333 -1.130282 -1.914570
H -1.643726 -1.829200 -1.750936
H -4.949151 0.077132 -0.196184
H -4.505992 0.777951 1.380362
H 4.710716 -2.314609 0.094704
H 5.554590 -0.030527 -0.603110
H -2.654038 -3.964514 -0.795362
H -4.287157 -3.264870 -0.974383
H -3.300011 -3.611535 -2.422595
H -4.920823 3.104452 0.474638
H -5.267642 2.431601 -1.144313
H -6.367330 2.087238 0.220416
H 3.440622 2.817700 -0.853942


