%chk=000012631.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012631

0 1
 O  -0.9361000     -0.1777000     -1.3400000E-02
 O   8.8299997E-02  -1.948900      0.9955000    
 N   -4.593700     -0.5620000     -0.2602000    
 N    1.385600     -0.1609000      0.2095000    
 C   -3.282500      6.9100000E-02 -0.4072000    
 C   -4.882300     -0.8182000       1.150300    
 C   -5.634500      0.2789000     -0.8504000    
 C   -2.191100     -0.8207000      0.1660000    
 C   -6.214400      -1.529400       1.317800    
 C   -5.350700      0.5556000      -2.317100    
 C   0.1746000     -0.8484000      0.4517000    
 C    1.453900       1.276700      0.1800000    
 C    2.589800     -0.9231000     -1.4900000E-02
 C    2.396200       1.869400     -0.6245000    
 C    3.787900     -0.3714000      0.3622000    
 C   0.5734000       1.988900      0.9568000    
 C    2.477000      -2.161800     -0.5936000    
 C    2.462300       3.262300     -0.6537000    
 C    4.952300      -1.108300      0.1458000    
 C   0.6396000       3.381900      0.9276000    
 C    3.641400      -2.898700     -0.8100000    
 C    1.584100       4.018600      0.1222000    
 C    4.879000      -2.371800     -0.4403000    
 H   -3.019200      0.2260000      -1.458900    
 H   -3.246800       1.057300      7.1199998E-02
 H   -4.155400      -1.508000       1.586800    
 H   -4.871700      0.1016000       1.748300    
 H   -6.602100     -0.2331000     -0.8280000    
 H   -5.749200       1.228500     -0.3125000    
 H   -2.180100      -1.792800     -0.3418000    
 H   -2.301900     -0.9707000       1.242800    
 H   -7.067500     -0.8614000       1.164200    
 H   -6.306100      -2.386000      0.6411000    
 H   -6.300400      -1.912300       2.341200    
 H   -4.558500       1.297200      -2.458600    
 H   -5.088300     -0.3581000      -2.861500    
 H   -6.248500      0.9687000      -2.791000    
 H    3.041400       1.332400      -1.312100    
 H    3.891500      0.5651000      0.9001000    
 H  -0.1457000       1.523600       1.623100    
 H    1.535800      -2.585100     -0.9278000    
 H    3.184300       3.759100      -1.295400    
 H    5.914300     -0.7072000      0.4513000    
 H  -3.8899999E-02   3.971100       1.537600    
 H    3.585900      -3.879400      -1.273500    
 H    1.633700       5.103200      9.7400002E-02
 H    5.785400      -2.946700     -0.6063000    


%chk=000012631-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012631

0 1
O -0.896338 -0.189388 -0.131058
O -0.004302 -2.347569 -0.198127
N -4.636703 -0.175396 -0.106599
N 1.386042 -0.418416 -0.036662
C -3.250886 0.349755 -0.036211
C -5.116262 -0.710425 1.197284
C -5.596195 0.761155 -0.748661
C -2.253386 -0.793251 -0.261052
C -6.194809 -1.799557 1.042085
C -5.413070 0.855062 -2.275357
C 0.166291 -1.103093 -0.128601
C 1.353906 1.040912 0.017614
C 2.674535 -1.076610 0.006238
C 1.404736 1.787076 -1.180008
C 3.845924 -0.272130 0.093344
C 1.302687 1.693967 1.268346
C 2.815468 -2.492597 -0.033829
C 1.391750 3.198753 -1.125449
C 5.122300 -0.869777 0.139689
C 1.290623 3.105730 1.319701
C 4.101583 -3.071709 0.013833
C 1.334478 3.860477 0.123773
C 5.264467 -2.274515 0.100829
H -3.100847 1.107669 -0.824571
H -3.029921 0.850128 0.935711
H -4.247047 -1.150231 1.721350
H -5.497712 0.110514 1.856447
H -6.615884 0.388886 -0.541484
H -5.534949 1.783787 -0.296057
H -2.366580 -1.227771 -1.269178
H -2.361902 -1.603288 0.482032
H -7.101377 -1.414251 0.541492
H -5.803793 -2.637152 0.438966
H -6.498952 -2.185690 2.032965
H -4.412354 1.236871 -2.548272
H -5.533561 -0.141537 -2.734479
H -6.162305 1.541375 -2.712570
H 1.450722 1.261552 -2.139596
H 3.766146 0.817210 0.125195
H 1.270301 1.097173 2.185857
H 1.928929 -3.122662 -0.102909
H 1.426939 3.779336 -2.053809
H 6.007600 -0.227327 0.206535
H 1.246732 3.614483 2.288929
H 4.187085 -4.163950 -0.018173
H 1.324901 4.955275 0.164999
H 6.257091 -2.735754 0.137301


