%chk=000128820.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128820

0 1
 O   -2.911400      0.1005000      0.6681000    
 O   -1.847300      -2.441200      0.1536000    
 O  -0.5033000     -4.5899998E-02   1.813700    
 N   -3.677800      -4.609100     -0.3470000    
 C    1.313700      0.7592000      0.4500000    
 C    2.013100     -0.5929000      0.6077000    
 C   -1.116900       1.650800      0.3055000    
 C   -3.259800      -2.215300      0.1380000    
 C  -0.1532000      0.7448000      0.9151000    
 C   -3.516400     -0.7700000     -0.2830000    
 C   -2.461000       1.305800      0.1996000    
 C    3.447800     -0.5348000      0.1504000    
 C   -3.897900      -3.242500     -0.8003000    
 C  -0.6777000       2.882900     -0.1793000    
 C   -3.369900       2.181800     -0.3867000    
 C    3.753600     -0.8158000      -1.173300    
 C    4.440700     -0.2007000       1.059900    
 C   -1.584700       3.764200     -0.7678000    
 C   -2.930700       3.413700     -0.8715000    
 C    5.081500     -0.7618000      -1.596800    
 C    5.768500     -0.1466000      0.6362000    
 C    6.088900     -0.4272000     -0.6921000    
 H    1.347500       1.050500     -0.6068000    
 H    1.836100       1.527900       1.032400    
 H    1.470500      -1.363300      4.4300001E-02
 H    1.975600     -0.9208000       1.654800    
 H   -3.615200      -2.355600       1.166200    
 H   -4.592900     -0.5691000     -0.3161000    
 H   -3.088300     -0.6002000      -1.279900    
 H   -3.466700      -3.146200      -1.803200    
 H   -4.975000      -3.058600     -0.8781000    
 H   0.3605000       3.192500     -9.9299997E-02
 H   -4.422800       1.926000     -0.4664000    
 H    2.975800      -1.075500      -1.885800    
 H    4.201200      2.1500001E-02   2.095800    
 H   -1.243900       4.725300      -1.141700    
 H   -3.637200       4.101300      -1.327100    
 H    5.330900     -0.9797000      -2.631100    
 H    6.553100      0.1146000       1.340400    
 H   -1.702900      -3.360200      0.4372000    
 H   -4.087800      -4.734000      0.5776000    
 H   -4.165900      -5.254700     -0.9664000    
 H    7.122800     -0.3848000      -1.021900    


%chk=000128820-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128820

0 1
O -2.481968 -0.531558 -0.234080
O -3.676617 -3.037176 -1.749423
O -0.094742 -0.823814 1.094952
N -5.262494 -4.494513 -0.127047
C 1.696902 0.539983 0.171881
C 2.630471 -0.659850 0.468335
C -0.811568 1.196495 -0.051566
C -3.875851 -2.489674 -0.408917
C 0.215358 0.217475 0.448849
C -3.868316 -0.964866 -0.491272
C -2.170893 0.818011 -0.327012
C 4.093558 -0.291977 0.273315
C -5.221953 -3.038274 0.142835
C -0.454919 2.560930 -0.227880
C -3.118365 1.802163 -0.716200
C 4.728628 -0.462789 -0.984375
C 4.849204 0.265677 1.337983
C -1.393716 3.538108 -0.615122
C -2.731373 3.150928 -0.851286
C 6.077144 -0.084767 -1.175777
C 6.197548 0.645840 1.152712
C 6.816942 0.473325 -0.107325
H 1.817845 0.878447 -0.875161
H 2.002525 1.398701 0.805808
H 2.346338 -1.499744 -0.192008
H 2.441365 -1.001473 1.501505
H -3.046906 -2.798568 0.264600
H -4.532518 -0.510526 0.274388
H -4.195173 -0.662268 -1.504960
H -6.059231 -2.573680 -0.411901
H -5.329700 -2.768891 1.216058
H 0.577716 2.868088 -0.034921
H -4.154226 1.520257 -0.922928
H 4.163017 -0.902041 -1.816008
H 4.377737 0.392707 2.321039
H -1.088702 4.583272 -0.726150
H -3.476922 3.896711 -1.149191
H 6.551251 -0.229489 -2.153514
H 6.765911 1.069289 1.989013
H -4.093563 -3.952080 -1.686680
H -4.700721 -5.058862 0.519195
H -6.197375 -4.886754 -0.264086
H 7.863554 0.764027 -0.252779


