%chk=000033921.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033921

0 1
 O    2.161200       1.968500     -0.6745000    
 O   -2.367700       1.545500     -0.7651000    
 O   0.1598000      -1.551700       1.598500    
 O    2.829000      -1.211300     -0.2459000    
 O   -2.445500      -1.710300     -0.3528000    
 O    4.860400      -1.712900      0.7333000    
 O   -4.312600      -2.671900      0.6095000    
 N    1.209400      0.2625000      0.5940000    
 N   -1.166600      3.9200000E-02  0.5442000    
 C  -0.1573000       2.192000     -5.3199999E-02
 C  -0.2324000       3.238400      -1.178600    
 C  -0.2530000       2.917000       1.302000    
 C    1.184900       1.477200     -0.1067000    
 C   -1.340300       1.240600     -0.1580000    
 C   7.2800003E-02 -0.4866000      0.9776000    
 C  -0.1200000       2.581400      -2.535600    
 C   -1.580400       3.627700       1.443700    
 C    2.511100     -0.3463000      0.8469000    
 C   -2.340800     -0.8031000      0.7470000    
 C    4.041500      -1.830400     -0.1682000    
 C   -3.483600      -2.591800     -0.2869000    
 C    4.238400      -2.699000      -1.373400    
 C   -3.468500      -3.474700      -1.497900    
 H   0.5655000       3.984400      -1.073700    
 H   -1.179100       3.788300      -1.173300    
 H   0.5650000       3.641000       1.408200    
 H  -0.1435000       2.212000       2.135700    
 H   0.8363000       2.078100      -2.697800    
 H  -0.9153000       1.857900      -2.733300    
 H  -0.1987000       3.350000      -3.313500    
 H   -1.715100       4.440000      0.7257000    
 H   -2.440900       2.955800       1.392700    
 H   -1.622100       4.096300       2.434500    
 H    2.482000     -0.9248000       1.777000    
 H    3.273900      0.4366000      0.9297000    
 H   -3.240300     -0.1784000      0.7907000    
 H   -2.242800      -1.364600       1.683000    
 H    3.459300      -3.464500      -1.410000    
 H    5.211100      -3.194900      -1.308000    
 H    4.220100      -2.086700      -2.278600    
 H   -3.584400      -2.868600      -2.400000    
 H   -4.302500      -4.180100      -1.442800    
 H   -2.534800      -4.041600      -1.531700    


%chk=000033921-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033921

0 1
O 2.273270 1.580809 -0.038112
O -2.474224 1.885383 -0.595959
O -0.546139 -1.788378 1.522249
O 2.533900 -1.491132 -0.181552
O -2.862591 -1.597679 -0.477609
O 4.736813 -1.010033 0.444925
O -3.926260 -3.092033 0.974057
N 0.873511 -0.078519 0.778582
N -1.519379 0.087638 0.533264
C -0.114808 2.114791 0.011033
C 0.090651 3.014583 -1.240934
C -0.157046 2.992411 1.342744
C 1.100978 1.201470 0.204835
C -1.448139 1.371295 -0.084870
C -0.404869 -0.662531 0.986729
C 0.230659 2.228464 -2.561600
C -1.242106 4.085709 1.381535
C 2.047518 -0.899529 1.087840
C -2.818280 -0.587197 0.605246
C 3.928179 -1.418751 -0.411617
C -3.397318 -2.860657 -0.131349
C 4.243208 -1.896596 -1.809026
C -3.216536 -3.826412 -1.277758
H 0.998015 3.620637 -1.067536
H -0.773761 3.695732 -1.311778
H 0.845091 3.453022 1.433054
H -0.281222 2.314279 2.210850
H 1.104235 1.552673 -2.540491
H -0.675848 1.633705 -2.775115
H 0.372666 2.927960 -3.404410
H -1.067038 4.865318 0.620999
H -2.253948 3.676916 1.218820
H -1.225563 4.576948 2.371437
H 1.733420 -1.717592 1.750099
H 2.847363 -0.279815 1.523238
H -3.597703 0.162498 0.410468
H -2.945300 -1.094020 1.574837
H 3.625816 -2.769934 -2.072978
H 5.312470 -2.141943 -1.885002
H 4.010779 -1.090731 -2.528797
H -3.410565 -3.329845 -2.241788
H -3.885622 -4.688968 -1.145438
H -2.170777 -4.183746 -1.288721


