%chk=000113641.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113641

0 1
 O   -2.679300       2.090000      -2.076200    
 O   -5.442400     -0.8695000      0.7068000    
 N    4.500000      0.6008000     -9.8099999E-02
 N  -0.2713000      -2.347000     -0.2332000    
 N   -3.765500      0.9745000     -0.3432000    
 C    3.301300     -0.1412000     -0.1305000    
 C    5.627800      0.2102000     -0.9208000    
 C    4.615700       1.772200      0.7479000    
 C    3.195200      -1.259100     -0.9581000    
 C    2.221100      0.2433000      0.6639000    
 C   0.9178000      -1.614800     -0.1974000    
 C    2.009100      -1.992300     -0.9914000    
 C    1.035100     -0.4899000      0.6307000    
 C    6.395300     -0.8958000     -0.2768000    
 C    5.096000       1.396600       2.109900    
 C   -1.548500      -1.899400     -2.5699999E-02
 C   -2.156700       2.691200      0.1986000    
 C   -1.930100     -0.6453000     -0.3235000    
 C   -3.320600     -0.2068000     -8.4100001E-02
 C   -2.501200      -2.843300      0.5372000    
 C   -2.882200       1.889300     -0.8801000    
 C   -1.170700       3.678800     -0.4191000    
 C   -3.178900       3.412600       1.070200    
 C   -4.286000      -1.201400      0.4987000    
 C   -3.781200      -2.553800      0.7942000    
 H    5.328100     -4.0100001E-02  -1.944900    
 H    6.308200       1.062000      -1.049100    
 H    5.349200       2.464300      0.3131000    
 H    3.700200       2.371900      0.7841000    
 H    3.995000      -1.610300      -1.600400    
 H    2.244900       1.084600       1.347100    
 H    1.939000      -2.860700      -1.642300    
 H   0.2289000     -0.1816000       1.291500    
 H    7.219600      -1.208900     -0.9267000    
 H    5.788000      -1.782100     -7.1599998E-02
 H    6.839500     -0.5836000      0.6728000    
 H    5.125000       2.279700       2.757100    
 H    6.109100      0.9848000       2.086400    
 H    4.449000      0.6562000       2.590900    
 H  -0.1685000      -3.341900     -0.4055000    
 H   -1.585900       1.994100      0.8230000    
 H   -1.239700      5.2000001E-02 -0.7824000    
 H   -2.140500      -3.844100      0.7615000    
 H   -1.681000       4.408200      -1.057800    
 H  -0.6312000       4.228400      0.3594000    
 H  -0.4300000       3.156900      -1.035000    
 H   -2.680000       4.039400       1.817100    
 H   -3.831300       4.054900      0.4681000    
 H   -3.818000       2.706300       1.610700    
 H   -4.461700      -3.283700       1.215000    


%chk=000113641-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000113641

0 1
O -2.179336 2.277911 -1.123036
O -5.426610 -1.120928 0.584294
N 4.985521 0.271927 -0.418514
N -0.046531 -2.393404 -0.071741
N -3.629970 0.996714 0.227632
C 3.755229 -0.384058 -0.298124
C 6.121903 -0.366290 -1.115924
C 5.216072 1.580143 0.231970
C 3.525669 -1.670711 -0.889483
C 2.654159 0.202635 0.408923
C 1.177279 -1.678683 -0.143996
C 2.269603 -2.288778 -0.818867
C 1.401054 -0.423113 0.482048
C 6.888446 -1.415180 -0.273123
C 5.537874 1.500210 1.744560
C -1.354951 -1.940658 0.091020
C -3.338935 3.367751 0.765812
C -1.767047 -0.606481 0.052374
C -3.155979 -0.248377 0.221590
C -2.342135 -3.013136 0.281768
C -2.943699 2.166508 -0.107156
C -2.198706 4.403723 0.839808
C -4.641177 3.987825 0.181397
C -4.190258 -1.355994 0.425877
C -3.675396 -2.744315 0.431823
H 5.760669 -0.827812 -2.055001
H 6.818902 0.436359 -1.418025
H 6.057237 2.068146 -0.293281
H 4.334364 2.228643 0.067775
H 4.325590 -2.189968 -1.422853
H 2.771076 1.163430 0.916131
H 2.129209 -3.262047 -1.306969
H 0.608584 0.056103 1.061272
H 7.696376 -1.871402 -0.874807
H 6.218339 -2.221877 0.071915
H 7.345053 -0.950039 0.617953
H 5.665212 2.516715 2.160846
H 6.470566 0.936999 1.923120
H 4.727042 0.999933 2.302025
H 0.045999 -3.402247 -0.216873
H -3.576961 2.979984 1.775925
H -1.070771 0.196583 -0.194161
H -1.981786 -4.051536 0.307167
H -1.902521 4.714538 -0.177076
H -2.526866 5.295818 1.404353
H -1.303454 3.988868 1.339103
H -4.983013 4.824960 0.817569
H -4.455481 4.377218 -0.836375
H -5.443823 3.232384 0.128274
H -4.415918 -3.538394 0.573059


