%chk=000068703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068703

0 1
 O   0.2943000      0.6120000     -0.6182000    
 O    1.071300      -1.207900      -1.794400    
 N    3.781900       1.325300       1.199100    
 C   -3.438600      0.8881000     -2.1600001E-02
 C   -3.539800     -0.3526000      0.8974000    
 C   -2.629900      -1.514800      0.4660000    
 C   -1.959900       1.299400     -0.1851000    
 C   -1.053100      0.1472000     -0.6186000    
 C   -1.178000      -1.047000      0.3252000    
 C   -4.076900      0.6016000      -1.394400    
 C   -4.212700       2.052800      0.6249000    
 C   -2.726000      -2.668900       1.464100    
 C    1.235200     -0.2914000      -1.004000    
 C    2.528200     -2.2299999E-02 -0.3259000    
 C    3.614000     -0.8258000     -0.5782000    
 C    2.635000       1.025700      0.5490000    
 C    4.811700     -0.5491000      7.1800001E-02
 C    4.843200      0.5279000      0.9428000    
 H   -4.580500     -0.6998000      0.9402000    
 H   -3.272700     -6.0800001E-02   1.922800    
 H   -2.970600      -1.893700     -0.5055000    
 H   -1.579800       1.703800      0.7640000    
 H   -1.865500       2.125000     -0.9029000    
 H   -1.314400     -0.1491000      -1.641800    
 H  -0.7699000     -0.7771000       1.309100    
 H  -0.5696000      -1.890200     -2.0700000E-02
 H   -4.027200       1.485100      -2.041000    
 H   -3.584400     -0.2180000      -1.925000    
 H   -5.133500      0.3312000      -1.285900    
 H   -5.269700       1.797900      0.7613000    
 H   -3.802500       2.305300       1.609200    
 H   -4.162800       2.954100      3.5000001E-03
 H   -2.104700      -3.512000       1.144100    
 H   -2.393300      -2.362700       2.461800    
 H   -3.758000      -3.025900       1.545900    
 H    3.563900      -1.664600      -1.265400    
 H    1.818300       1.696000      0.7925000    
 H    5.692800      -1.157300     -9.7900003E-02
 H    5.753200      0.7856000       1.474600    


%chk=000068703-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068703

0 1
O 0.371944 0.275260 0.080788
O 1.131275 -1.315522 -1.455780
N 4.204352 1.472752 1.117093
C -3.425922 0.875602 -0.058141
C -3.810800 -0.363229 0.807870
C -2.961515 -1.628686 0.526016
C -1.894133 1.138503 0.087436
C -1.057870 -0.111489 -0.207840
C -1.451645 -1.301373 0.681122
C -3.807679 0.648954 -1.547383
C -4.192750 2.118113 0.461810
C -3.367069 -2.795052 1.453131
C 1.362737 -0.416794 -0.606462
C 2.731411 0.042638 -0.220965
C 3.852514 -0.551028 -0.853973
C 2.958555 1.047719 0.756489
C 5.144813 -0.121195 -0.491481
C 5.272035 0.887946 0.493177
H -4.884844 -0.594014 0.657332
H -3.690288 -0.096953 1.880247
H -3.138896 -1.950545 -0.521761
H -1.678563 1.461557 1.125668
H -1.584980 1.962413 -0.583644
H -1.102451 -0.401502 -1.273964
H -1.241737 -1.041672 1.738816
H -0.840225 -2.185010 0.421299
H -3.534873 1.530540 -2.157752
H -3.306010 -0.230394 -1.988840
H -4.898780 0.494946 -1.646623
H -5.286174 1.965193 0.388592
H -3.948979 2.323653 1.521445
H -3.936776 3.019670 -0.126604
H -2.776721 -3.704762 1.236477
H -3.200811 -2.529119 2.514888
H -4.436946 -3.047906 1.332226
H 3.686721 -1.327829 -1.607535
H 2.114395 1.524315 1.263050
H 6.036477 -0.552630 -0.956246
H 6.259211 1.249928 0.802823


