%chk=000126839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126839

0 1
 O   -2.934100      0.1624000       1.011900    
 O   -1.168500       4.443700      -1.759200    
 O   -2.713400      -5.105300     -0.5999000    
 O  -0.6780000       3.814600       2.253100    
 O  -0.2053000       5.361100      0.6556000    
 N   0.3208000     -0.5717000      0.1314000    
 C    2.740000     -0.9025000      0.2390000    
 C    1.431400      -1.291100     -0.4440000    
 C    3.957200      -1.607200     -0.3706000    
 C    5.254700      -1.142600      0.2957000    
 C  -0.4301000      -1.197200       1.221600    
 C  -5.3700000E-02  0.6948000     -0.3401000    
 C    6.507300      -1.792600     -0.2958000    
 C   -1.676300      -1.853200      0.6949000    
 C  -5.4200001E-02   1.797000      0.5214000    
 C  -0.4301000      0.8668000      -1.676400    
 C    7.803300      -1.281900      0.3147000    
 C   -2.866100      -1.139600      0.6164000    
 C   -1.616400      -3.181400      0.2904000    
 C  -0.4270000       3.056600      5.2099999E-02
 C  -0.8027000       2.126300      -2.145700    
 C  -0.8011000       3.221200      -1.281400    
 C   -2.763700      -3.805300     -0.1999000    
 C   -4.013300      -1.763500      0.1262000    
 C   -3.962100      -3.096400     -0.2820000    
 C  -0.4185000       4.186900      0.9705000    
 H    2.681200      -1.136400       1.309500    
 H    2.881300      0.1835000      0.1664000    
 H    1.283200      -2.373100     -0.3436000    
 H    1.509100      -1.104100      -1.521900    
 H    3.850700      -2.692500     -0.2567000    
 H    4.003100      -1.396000      -1.445700    
 H    5.210400      -1.360200       1.370100    
 H    5.339300     -5.2999999E-02  0.1970000    
 H   0.1922000      -1.948400       1.726900    
 H  -0.6737000     -0.4764000       2.012100    
 H    6.451700      -2.878800     -0.1573000    
 H    6.533900      -1.611500      -1.377000    
 H   0.2635000       1.661100       1.552900    
 H  -0.4482000      2.3300000E-02  -2.362000    
 H    7.910800     -0.2041000      0.1573000    
 H    7.829800      -1.476200       1.391600    
 H    8.662600      -1.781200     -0.1436000    
 H  -0.6874000      -3.741800      0.3532000    
 H   -1.094500       2.239400      -3.186500    
 H   -4.953600      -1.223100      5.6800000E-02
 H   -4.862800      -3.570800     -0.6624000    
 H   -3.840100      0.4889000      0.8762000    
 H   -1.393200       4.362000      -2.702000    
 H   -3.595200      -5.373700     -0.9104000    
 H  -0.6705000       4.581700       2.864600    


%chk=000126839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126839

0 1
O -3.112980 -0.115691 0.571045
O -0.341701 5.545662 -1.258827
O -1.286034 -5.427525 0.932596
O -3.184853 3.482748 1.228690
O -2.530915 5.553904 0.430076
N 0.209350 0.034850 0.090022
C 2.628792 -0.771522 0.023519
C 1.206543 -0.804373 -0.597717
C 3.618948 -1.674344 -0.745499
C 5.038761 -1.681336 -0.135414
C -0.406085 -0.566710 1.295697
C 0.069370 1.399879 -0.237096
C 6.032991 -2.572360 -0.914906
C -1.369570 -1.714200 0.997805
C -1.002887 2.191256 0.259722
C 0.997901 2.049696 -1.110794
C 7.447710 -2.579777 -0.296584
C -2.715168 -1.465229 0.609068
C -0.943080 -3.055103 1.103114
C -1.148804 3.567932 -0.056415
C 0.851087 3.405825 -1.449860
C -0.203330 4.189284 -0.927246
C -1.815675 -4.126678 0.803326
C -3.592341 -2.529303 0.310523
C -3.143706 -3.867304 0.399849
C -2.291622 4.326551 0.510260
H 2.575767 -1.101307 1.081117
H 3.007041 0.269486 0.042175
H 0.836994 -1.847945 -0.587579
H 1.255502 -0.512036 -1.663870
H 3.227517 -2.713252 -0.772166
H 3.678035 -1.339394 -1.802935
H 4.984841 -2.028588 0.917516
H 5.429378 -0.642821 -0.099411
H 0.402035 -0.959952 1.947953
H -0.921930 0.222094 1.863839
H 5.639433 -3.608713 -0.953959
H 6.088953 -2.221875 -1.965908
H -1.787401 1.735507 0.863338
H 1.848787 1.503802 -1.526198
H 7.875746 -1.559701 -0.273383
H 7.423525 -2.955980 0.743616
H 8.138552 -3.222863 -0.872267
H 0.076050 -3.287751 1.430976
H 1.584326 3.868193 -2.124642
H -4.629503 -2.325979 0.015298
H -3.830971 -4.689702 0.164872
H -4.047688 -0.012333 0.268358
H 0.384619 5.813020 -1.877766
H -1.969241 -6.108558 0.714919
H -3.899369 4.069015 1.596553


