%chk=000038754.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038754

0 1
 O    3.010300      0.1157000     -0.8645000    
 O  -0.9260000     -0.4839000      -3.107200    
 N    1.017200     -0.1761000      -1.928000    
 C    1.041100      0.1507000      0.5381000    
 C  -0.4738000      2.8899999E-02  0.4380000    
 C    1.419800       1.527900       1.123200    
 C    1.598000     -0.9680000       1.443900    
 C    1.781000      3.2000002E-02 -0.7953000    
 C   -1.125100     -0.1819000     -0.7828000    
 C   -1.273000      0.1256000       1.595700    
 C  -0.3582000     -0.2944000      -2.035100    
 C   0.8469000       2.626300      0.2936000    
 C    1.325700      -2.308600      0.8506000    
 C   -2.523900     -0.2913000     -0.8450000    
 C   -2.663600      1.7000001E-02   1.535700    
 C   -3.289100     -0.1914000      0.3137000    
 C  -2.0900000E-02   3.531100      0.7603000    
 C   0.6134000      -3.259500       1.465200    
 H    2.510100       1.654200       1.152100    
 H    1.086400       1.615800       2.165400    
 H    1.191600     -0.8989000       2.460800    
 H    2.686000     -0.8655000       1.554100    
 H  -0.8175000      0.2896000       2.569500    
 H    1.534600     -0.2536000      -2.799500    
 H    1.177400       2.721500     -0.7374000    
 H    1.766000      -2.551600     -0.1128000    
 H   -3.035600     -0.4547000      -1.790000    
 H   -3.253800      9.5899999E-02   2.443800    
 H   -4.370300     -0.2764000      0.2616000    
 H  -0.3919000       4.319400      0.1145000    
 H  -0.3768000       3.503100       1.784100    
 H   0.4667000      -4.225700      0.9950000    
 H   0.1647000      -3.094200       2.438400    


%chk=000038754-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000038754

0 1
O 2.979736 0.157832 -0.919741
O -0.973197 -0.431423 -3.230877
N 0.958213 -0.132801 -1.990323
C 0.991854 0.147500 0.518511
C -0.529585 0.007121 0.423524
C 1.390571 1.540669 1.153464
C 1.606697 -0.986602 1.434540
C 1.723075 0.059723 -0.834941
C -1.198643 -0.185784 -0.815415
C -1.318354 0.066965 1.599472
C -0.447646 -0.262255 -2.095014
C 0.978057 2.740126 0.328073
C 1.384484 -2.391019 0.917661
C -2.610638 -0.314193 -0.873212
C -2.721129 -0.060566 1.545432
C -3.375569 -0.252113 0.303484
C 0.104617 3.696068 0.729999
C 0.695982 -3.359427 1.570705
H 2.492706 1.528125 1.262589
H 0.950305 1.604551 2.165199
H 1.187148 -0.883973 2.452127
H 2.693501 -0.780774 1.493649
H -0.836326 0.213659 2.572325
H 1.478504 -0.185627 -2.875247
H 1.456614 2.832334 -0.659215
H 1.849452 -2.627348 -0.052055
H -3.073691 -0.461768 -1.854328
H -3.306548 -0.010937 2.470316
H -4.465168 -0.350793 0.262259
H -0.143443 4.552238 0.092972
H -0.390107 3.648347 1.708436
H 0.583671 -4.365771 1.152370
H 0.222255 -3.173084 2.542960


