%chk=000094875.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094875

0 1
 O    1.590600     -6.9300003E-02  1.2000000E-02
 O    1.123600       2.104400     -0.5845000    
 O   -5.516900      0.2955000      0.4760000    
 O   -4.980800      -1.753300     -0.1021000    
 N   -4.665200     -0.5635000      0.1422000    
 C    5.272000     -0.9181000      0.2715000    
 C    3.743400      -1.080200      0.2923000    
 C    2.986300      0.1950000     -5.8400001E-02
 C    5.726900     -0.4570000      -1.115100    
 C    5.767800      6.6200003E-02   1.331700    
 C   0.7690000      0.9771000     -0.2760000    
 C  -0.6555000      0.5731000     -0.1660000    
 C   -1.590500       1.519100      0.2010000    
 C   -1.000200     -0.7358000     -0.4346000    
 C   -3.303000     -0.1775000      3.7599999E-02
 C   -2.928800       1.139600      0.3041000    
 C   -2.338600      -1.115300     -0.3317000    
 H    5.716700      -1.899700      0.4769000    
 H    3.422500      -1.430300       1.281900    
 H    3.446100      -1.874700     -0.4048000    
 H    3.227700      0.9964000      0.6475000    
 H    3.223100      0.5237000      -1.075300    
 H    5.314300      -1.099400      -1.900200    
 H    5.442100      0.5784000      -1.326800    
 H    6.819100     -0.5100000      -1.187700    
 H    5.403800     -0.2170000       2.324800    
 H    6.862800      6.7500003E-02   1.366500    
 H    5.445800       1.092200       1.128400    
 H   -1.310700       2.546600      0.4140000    
 H  -0.2706000      -1.481100     -0.7370000    
 H   -3.652500       1.896800      0.5951000    
 H   -2.593900      -2.149300     -0.5496000    


%chk=000094875-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094875

0 1
O 1.599266 -0.090086 0.057883
O 1.101278 2.183924 -0.076935
O -5.724831 0.391477 -0.068307
O -5.137371 -1.807302 0.084071
N -4.847388 -0.551921 0.006654
C 5.364727 -0.920620 0.090727
C 3.815460 -1.076722 0.101753
C 3.057851 0.251146 0.050079
C 5.885198 -0.285181 -1.222604
C 5.890404 -0.151626 1.328498
C 0.723050 0.987939 -0.012319
C -0.709010 0.549746 -0.003323
C -1.709330 1.553490 -0.080057
C -1.075611 -0.818928 0.077374
C -3.409929 -0.168171 0.003237
C -3.070728 1.200628 -0.077662
C -2.434250 -1.186260 0.081351
H 5.771263 -1.952038 0.143932
H 3.510611 -1.621706 1.016264
H 3.505044 -1.693884 -0.763681
H 3.259100 0.896346 0.923281
H 3.264498 0.831499 -0.866383
H 5.503929 -0.824831 -2.109731
H 5.581152 0.774745 -1.311791
H 6.989716 -0.313450 -1.257658
H 5.500910 -0.585704 2.268504
H 6.994397 -0.189725 1.370034
H 5.600338 0.915620 1.299426
H -1.396759 2.600460 -0.141429
H -0.292399 -1.578628 0.136009
H -3.863591 1.950347 -0.136350
H -2.750593 -2.230483 0.142853


