%chk=000097030.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097030

0 1
 O   0.8296000      0.4481000       1.630900    
 O   -3.632200      -2.066900      0.9671000    
 O   -5.171200      -1.377000      -1.242600    
 N   1.0200000E-02   1.995700      0.1054000    
 C    4.576100      0.2154000     -0.5734000    
 C    3.316500      0.1901000      0.2979000    
 C    5.658000     -0.7090000     -1.0900000E-02
 C    2.231200       1.131800     -0.2220000    
 C    6.932200     -0.6500000     -0.8530000    
 C   0.9635000       1.127000      0.6166000    
 C    8.021200      -1.542100     -0.2790000    
 C   -1.277600       2.202000      0.7266000    
 C   -2.312500       1.247300      0.2052000    
 C   -2.494800      2.0900000E-02  0.8330000    
 C   -3.077600       1.599800     -0.9001000    
 C   -3.456600     -0.8659000      0.3488000    
 C   -4.039200      0.7130000      -1.384600    
 C   -4.228700     -0.5198000     -0.7601000    
 C   -2.848100      -3.160300      0.4942000    
 H    4.960600       1.241200     -0.6278000    
 H    4.322800     -9.0599999E-02  -1.595500    
 H    3.575800      0.4696000       1.326800    
 H    2.922100     -0.8328000      0.3424000    
 H    5.282900      -1.739200      1.9900000E-02
 H    5.888300     -0.4180000       1.021300    
 H    1.959700      0.8505000      -1.246700    
 H    2.615600       2.158700     -0.2489000    
 H    7.301400      0.3812000     -0.8991000    
 H    6.713700     -0.9626000      -1.880700    
 H    8.922500      -1.485700     -0.8974000    
 H    8.286700      -1.233100      0.7371000    
 H    7.696000      -2.586800     -0.2468000    
 H   -1.575400       3.238300      0.5301000    
 H   -1.178500       2.102100       1.814200    
 H   0.2104000       2.504900     -0.7508000    
 H   -1.899300     -0.2529000       1.699900    
 H   -2.937200       2.556700      -1.395300    
 H   -4.637100      0.9884000      -2.249100    
 H   -5.196600      -2.162800     -0.6698000    
 H   -1.783300      -2.963400      0.6546000    
 H   -3.039100      -3.345500     -0.5676000    
 H   -3.127800      -4.052800       1.060600    


%chk=000097030-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097030

0 1
O 0.665712 1.311532 1.901047
O -2.674420 -2.474020 0.374099
O -4.558766 -2.058117 -1.477073
N -0.074961 2.398320 -0.017781
C 4.452874 0.451912 -0.254433
C 2.965870 0.435478 0.162886
C 5.077196 -0.960532 -0.302567
C 2.328275 1.846494 0.173437
C 6.575632 -0.956568 -0.683696
C 0.914937 1.824505 0.762374
C 7.185072 -2.373911 -0.740667
C -1.492967 2.438333 0.409312
C -2.317928 1.260482 -0.097775
C -2.061273 -0.038432 0.423720
C -3.327780 1.430883 -1.071945
C -2.807842 -1.131912 -0.042337
C -4.082047 0.326654 -1.539478
C -3.823719 -0.955648 -1.028707
C -1.665551 -2.765345 1.396398
H 5.024838 1.082305 0.458563
H 4.558710 0.932652 -1.249916
H 2.861759 0.004201 1.176522
H 2.394723 -0.221663 -0.524394
H 4.517540 -1.585388 -1.029928
H 4.953352 -1.449331 0.686395
H 2.334401 2.280614 -0.845906
H 2.943331 2.510187 0.813137
H 7.135629 -0.340670 0.049378
H 6.700622 -0.458940 -1.667253
H 8.257806 -2.344139 -1.006389
H 7.092684 -2.883742 0.237032
H 6.667468 -2.998014 -1.493586
H -1.931886 3.391103 0.061868
H -1.473693 2.446098 1.513859
H 0.155291 2.698746 -0.966352
H -1.282537 -0.155258 1.184512
H -3.537308 2.430533 -1.471096
H -4.868556 0.445115 -2.290472
H -4.232904 -2.864188 -0.994306
H -1.885378 -2.220399 2.333631
H -0.653458 -2.494586 1.040733
H -1.726545 -3.849844 1.568556


