%chk=000000429.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000000429

0 1
 O    1.547200       1.754800      0.8032000    
 O    3.728100      7.0200004E-02  -1.618800    
 O    5.658300       1.572800     -0.2956000    
 O   -4.792900       1.360600       1.134500    
 O    5.636000      0.2580000       2.172800    
 O   -2.095600       4.528700     -0.7490000    
 N  -0.4078000      0.2042000     -0.5217000    
 N   -2.938600     -0.5676000      0.4068000    
 N   -1.291000       2.400100     -0.7017000    
 N   -3.440200       2.941600      0.1597000    
 C   0.8649000      0.5437000      -1.159600    
 C    1.954200      0.7220000     -9.5600002E-02
 C   -2.499500      0.7839000      0.6904000    
 C  -0.6854000      -1.169400     -0.2968000    
 C   -1.369700       1.182600     -0.2432000    
 C    3.323300       1.086900     -0.7031000    
 C   -1.973600      -1.538700      0.1530000    
 C    4.426300       1.261800      0.3581000    
 C   0.2478000      -2.196500     -0.5368000    
 C   -2.305300      -2.895700      0.3033000    
 C   -3.700100       1.689000      0.6770000    
 C  -8.7700002E-02  -3.541200     -0.3592000    
 C   -1.365800      -3.891600      5.4299999E-02
 C    4.628600      2.0999999E-03   1.199100    
 C   -2.252800       3.346200     -0.4399000    
 C   0.9443000      -4.586700     -0.6310000    
 C   -1.753100      -5.321500      0.2395000    
 H   0.7586000       1.491800      -1.702700    
 H    1.146000     -0.1757000      -1.936700    
 H    2.036200     -0.2053000      0.4781000    
 H   -2.091600      0.8233000       1.709900    
 H    3.239700       2.020300      -1.273400    
 H   -3.833300     -0.8757000      0.7722000    
 H    4.190400       2.112300       1.008000    
 H    1.258100      -1.972700     -0.8661000    
 H   -3.308300      -3.165000      0.6297000    
 H    3.729600     -0.3027000       1.738500    
 H    4.980100     -0.8346000      0.5878000    
 H   0.7664000       1.432100       1.283900    
 H   -4.182400       3.632400      0.2250000    
 H    4.592000      0.3309000      -1.981100    
 H    1.906000      -4.146900     -0.9175000    
 H    1.124000      -5.193700      0.2623000    
 H   0.6271000      -5.235300      -1.454100    
 H   -2.800200      -5.422400      0.5461000    
 H   -1.637500      -5.877700     -0.6963000    
 H   -1.141900      -5.788400       1.018700    
 H    6.336900       1.672000      0.3940000    
 H    5.319500      0.9831000       2.738200    


%chk=000000429-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000000429

0 1
O 1.879327 2.425977 0.083086
O 3.448792 -0.799577 -0.732786
O 5.690768 0.616452 -0.504653
O -4.850784 1.353843 0.850761
O 5.783670 1.453917 2.100078
O -1.443021 4.533687 0.631050
N -0.424597 0.067210 -0.362035
N -3.034953 -0.640600 0.133306
N -0.862216 2.315678 0.145492
N -3.130901 2.937718 0.759384
C 0.815671 0.491475 -1.073444
C 1.941941 0.985525 -0.128390
C -2.538755 0.555355 0.801354
C -0.753910 -1.334902 -0.263109
C -1.242959 1.027696 0.153207
C 3.312353 0.664799 -0.744448
C -2.122256 -1.685292 -0.064483
C 4.490557 1.303667 0.020365
C 0.219339 -2.346306 -0.425665
C -2.488965 -3.049959 -0.109846
C -3.626199 1.644695 0.785265
C -0.148032 -3.710998 -0.451663
C -1.527442 -4.065388 -0.314260
C 4.447079 1.116706 1.547396
C -1.754906 3.321914 0.526887
C 0.917858 -4.777955 -0.625697
C -1.959001 -5.519093 -0.361488
H 0.551206 1.316935 -1.759247
H 1.164866 -0.366957 -1.663639
H 1.859011 0.427973 0.831820
H -2.311962 0.373688 1.886904
H 3.351141 1.037328 -1.790707
H -4.038317 -0.817810 0.221535
H 4.531318 2.383830 -0.218696
H 1.278005 -2.081202 -0.527523
H -3.543092 -3.321123 0.023354
H 3.652975 1.740469 1.995621
H 4.299194 0.056873 1.811654
H 0.890822 2.665003 0.126109
H -3.792556 3.713841 0.868312
H 4.427778 -0.961662 -0.844879
H 1.920244 -4.327276 -0.715288
H 0.938426 -5.479571 0.230551
H 0.740426 -5.388612 -1.532163
H -3.050675 -5.621673 -0.243007
H -1.676300 -5.991926 -1.321503
H -1.474081 -6.112581 0.437252
H 6.396837 0.732586 0.189480
H 5.861579 2.438027 2.182596


