%chk=000086394.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086394

0 1
 O   0.6891000      0.3345000     -0.5684000    
 O   -1.406600      -1.558700     -0.8619000    
 O  -0.4873000       2.856600      2.6799999E-02
 N  -0.6473000      0.5599000     -0.2967000    
 C   -2.912400      0.1915000     -3.7300002E-02
 C   -4.063000     -0.2066000     -0.9723000    
 C   -3.304000     -0.3618000       1.340300    
 C   -4.922100      -1.209700     -0.1981000    
 C   -4.098200      -1.617600       1.011600    
 C   -2.617000       1.705000     -8.8999998E-03
 C   -1.580000     -0.4152000     -0.4684000    
 C   -1.115600       1.813300     -6.4400002E-02
 C    1.390000      0.1033000      0.6571000    
 C    2.839200     -0.1403000      0.3540000    
 C    3.284500      -1.436000      0.1167000    
 C    3.723800      0.9317000      0.3127000    
 C    4.631600      -1.662600     -0.1653000    
 C    5.070900      0.7049000      3.0700000E-02
 C    5.524700     -0.5922000     -0.2084000    
 H   -3.697800     -0.6584000      -1.901600    
 H   -4.682100      0.6524000      -1.255500    
 H   -3.949100      0.3439000       1.877800    
 H   -2.444300     -0.5915000       1.978600    
 H   -5.204400      -2.070400     -0.8120000    
 H   -5.847300     -0.7211000      0.1307000    
 H   -4.724400      -1.942400       1.847700    
 H   -3.425700      -2.443500      0.7535000    
 H   -2.990800       2.196300      0.8939000    
 H   -3.019500       2.215600     -0.8905000    
 H   0.9602000     -0.7642000       1.174400    
 H    1.285500      0.9696000       1.322700    
 H    2.596800      -2.276800      0.1454000    
 H    3.380400       1.946300      0.4950000    
 H    4.985000      -2.672500     -0.3520000    
 H    5.766400       1.538400     -3.5000001E-03
 H    6.573600     -0.7686000     -0.4283000    


%chk=000086394-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086394

0 1
O 0.754666 0.872148 -0.489015
O -0.977913 -1.428890 -0.397989
O -0.866354 3.261490 -0.001367
N -0.645320 0.908988 -0.246956
C -2.897169 0.159199 -0.027604
C -3.850551 -0.552524 -1.060377
C -3.358063 -0.392568 1.375133
C -4.829791 -1.430579 -0.229492
C -4.038245 -1.744081 1.062996
C -2.846162 1.716251 -0.094991
C -1.433149 -0.269156 -0.261932
C -1.369093 2.122751 -0.097906
C 1.516527 0.626858 0.809239
C 2.865366 0.089378 0.411899
C 2.953248 -1.183278 -0.210962
C 4.045893 0.834332 0.648700
C 4.210016 -1.703140 -0.585074
C 5.306055 0.309508 0.280612
C 5.389423 -0.959648 -0.336363
H -3.250938 -1.197403 -1.727442
H -4.377946 0.184251 -1.691615
H -4.100419 0.310112 1.801369
H -2.524549 -0.476561 2.095811
H -5.139870 -2.338092 -0.775955
H -5.745027 -0.859450 0.020197
H -4.677634 -2.096651 1.891662
H -3.271991 -2.515096 0.862587
H -3.358220 2.206682 0.749970
H -3.302914 2.103472 -1.024422
H 0.934949 -0.110542 1.392012
H 1.580554 1.586424 1.351987
H 2.032654 -1.744896 -0.409656
H 3.979446 1.824589 1.115589
H 4.273562 -2.684178 -1.068726
H 6.216286 0.889346 0.469052
H 6.365475 -1.365947 -0.624871


