%chk=000088951.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088951

0 1
 O  -0.1095000     -0.2254000      -1.586500    
 N   -1.791700      0.8189000      0.4309000    
 N   -4.421300     -0.3149000     -0.1734000    
 C  -0.8053000     -0.2280000      0.6895000    
 C   -2.325100      0.7502000     -0.9352000    
 C   -2.885900      0.8008000       1.409800    
 C   0.4295000     -0.1260000     -0.2529000    
 C   -3.331500     -0.3865000      -1.153700    
 C   -3.893100     -0.3358000       1.195700    
 C    1.141800       1.221900     -6.2899999E-02
 C    1.430800      -1.283500     -0.1074000    
 C   -5.377100      -1.401300     -0.3783000    
 C    1.771000       1.464800       1.133000    
 C    2.495700      -1.336300     -0.9718000    
 C    1.117500       2.124500      -1.097300    
 C    1.214600      -2.212000      0.8799000    
 C    2.417400       2.688800       1.305700    
 C    3.404000      -2.386800     -0.8402000    
 C    1.763900       3.348300     -0.9248000    
 C    2.122900      -3.262300       1.011600    
 C    2.413800       3.630500      0.2768000    
 C    3.217600      -3.349700      0.1516000    
 H   -1.280700      -1.209300      0.5685000    
 H  -0.4818000     -0.1496000       1.735700    
 H   -1.678800      0.9382000      -1.788800    
 H   -2.927600       1.672300      -1.019500    
 H   -3.415700       1.761200       1.349300    
 H   -2.487600      0.7562000       2.431100    
 H   -3.751200     -0.2763000      -2.161400    
 H   -2.824500      -1.358800      -1.122400    
 H   -3.427200      -1.302900       1.424100    
 H   -4.716200     -0.2002000       1.908100    
 H   -4.917700      -2.387800     -0.2473000    
 H   -5.805700      -1.351600      -1.385500    
 H   -6.213900      -1.314900      0.3237000    
 H  -0.3220000      -1.158200      -1.763700    
 H    1.781200      0.7438000       1.944000    
 H    2.649600     -0.5979000      -1.752100    
 H   0.6252000       1.940400      -2.045500    
 H   0.3906000      -2.188100       1.581100    
 H    2.923000       2.908800       2.241400    
 H    4.255600      -2.455700      -1.510700    
 H    1.761900       4.081800      -1.725800    
 H    1.980000      -4.011300       1.785200    
 H    2.917000       4.583500      0.4112000    
 H    3.925000      -4.167500      0.2543000    


%chk=000088951-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000088951

0 1
O 0.550820 -0.189753 -2.003292
N -1.744042 0.510022 -0.270956
N -4.603124 -0.077722 -0.068767
C -0.765487 -0.526306 0.078662
C -2.575891 0.263911 -1.471077
C -2.576026 1.043094 0.830155
C 0.665200 -0.255553 -0.514475
C -3.787445 -0.652171 -1.168465
C -3.789761 0.136267 1.154019
C 1.163988 1.122434 -0.063325
C 1.665265 -1.377532 -0.169482
C -5.819598 -0.866905 0.197971
C 1.847721 1.269875 1.168741
C 2.900253 -1.401911 -0.873881
C 0.874149 2.274168 -0.834381
C 1.421909 -2.381856 0.801322
C 2.241784 2.548877 1.623035
C 3.860697 -2.401721 -0.618810
C 1.276097 3.551697 -0.384612
C 2.383905 -3.387901 1.056787
C 1.958122 3.695581 0.846124
C 3.605138 -3.403206 0.348752
H -1.079592 -1.543958 -0.254890
H -0.672168 -0.566513 1.180260
H -1.944010 -0.164866 -2.265984
H -2.958952 1.238252 -1.831836
H -2.959773 2.035049 0.521528
H -1.951342 1.187846 1.729512
H -4.423596 -0.742015 -2.069934
H -3.424652 -1.684551 -0.910002
H -3.426957 -0.838389 1.581027
H -4.426079 0.618731 1.920975
H -5.604019 -1.908286 0.551778
H -6.426394 -0.938976 -0.722889
H -6.428266 -0.363607 0.971022
H 0.481764 -1.122187 -2.334743
H 2.087999 0.383827 1.768334
H 3.096404 -0.620833 -1.616237
H 0.345140 2.153189 -1.782163
H 0.486068 -2.393443 1.368864
H 2.776153 2.648419 2.574937
H 4.808511 -2.400403 -1.168968
H 1.052634 4.436066 -0.992650
H 2.177649 -4.156577 1.810366
H 2.268503 4.687861 1.193557
H 4.349799 -4.181725 0.549191


