%chk=000049613.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049613

0 1
 O  -0.2507000     -0.3949000     -0.4213000    
 O  -0.1200000      -1.615300       1.531700    
 N   0.5173000       2.381000     -0.2595000    
 C    3.202400      -1.283900      0.1336000    
 C   -1.080500      0.5690000      0.2350000    
 C    2.284600      -1.742400      -1.003900    
 C    4.497000     -0.6757000     -0.4095000    
 C  -0.8754000       1.956800     -0.3844000    
 C   0.9938000      -2.380700     -0.4910000    
 C   -2.518800      0.1153000      0.1137000    
 C    5.426600     -0.2435000      0.7243000    
 C   0.1597000      -1.442700      0.3533000    
 C    6.700200      0.3914000      0.1890000    
 C   -3.433300      0.4190000       1.122400    
 C   -2.930700     -0.6062000      -1.006800    
 C   0.7697000       2.924300       1.075100    
 C   0.8452000       3.372200      -1.284100    
 C   -4.759300      1.0000000E-03   1.010600    
 C   -4.256800      -1.024100      -1.118500    
 C   -5.171100     -0.7205000     -0.1097000    
 H  -0.8245000      0.6161000       1.300900    
 H    3.439300      -2.138300      0.7791000    
 H    2.690500     -0.5397000      0.7550000    
 H    2.812600      -2.472900      -1.628500    
 H    2.046800     -0.8860000      -1.646500    
 H    5.010300      -1.407300      -1.045300    
 H    4.258000      0.1894000      -1.040100    
 H   -1.128900       1.874300      -1.451000    
 H   -1.567800       2.695700      4.0700000E-02
 H   0.3772000      -2.729200      -1.327300    
 H    1.229100      -3.262200      0.1170000    
 H    5.687700      -1.110100       1.342700    
 H    4.913200      0.4756000       1.373200    
 H    6.474500       1.281900     -0.4064000    
 H    7.254400     -0.3120000     -0.4406000    
 H    7.350600      0.6920000       1.016500    
 H   -3.125200      0.9822000       1.999200    
 H   -2.243600     -0.8441000      -1.814200    
 H   0.6090000       2.173200       1.854600    
 H    1.817500       3.233500       1.166600    
 H   0.1399000       3.793900       1.296200    
 H   0.2175000       4.267700      -1.208600    
 H    1.894200       3.678300      -1.201900    
 H   0.7247000       2.947200      -2.286900    
 H   -5.471500      0.2380000       1.795600    
 H   -4.578600      -1.583000      -1.992400    
 H   -6.203900      -1.045100     -0.1973000    


%chk=000049613-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049613

0 1
O -0.442165 -0.891677 0.150886
O 0.269976 -1.179901 2.359759
N 0.730092 1.809472 0.634991
C 3.212151 -1.027373 0.132626
C -1.284445 0.272344 0.552158
C 2.232602 -2.058753 -0.470240
C 4.271906 -0.547177 -0.884407
C -0.594698 1.560354 0.036561
C 1.197810 -2.597177 0.555686
C -2.666191 0.104853 -0.058434
C 5.247933 0.497973 -0.296908
C 0.327846 -1.503134 1.150675
C 6.306513 0.976277 -1.314118
C -3.800356 0.599042 0.631799
C -2.837227 -0.485158 -1.335570
C 0.670430 2.184096 2.064386
C 1.526783 2.763653 -0.164306
C -5.086999 0.512106 0.053940
C -4.123709 -0.578633 -1.911143
C -5.252056 -0.076531 -1.221031
H -1.344339 0.277859 1.655744
H 3.721549 -1.471737 1.013312
H 2.633918 -0.155589 0.501055
H 2.798320 -2.923229 -0.872483
H 1.690042 -1.602134 -1.319949
H 4.852428 -1.417030 -1.258927
H 3.760701 -0.111031 -1.768742
H -0.474190 1.460866 -1.058499
H -1.308142 2.408179 0.211888
H 0.538286 -3.333257 0.057902
H 1.708811 -3.099381 1.394927
H 5.753581 0.065112 0.590323
H 4.666035 1.367551 0.072391
H 5.827331 1.441222 -2.196647
H 6.919401 0.128677 -1.675236
H 6.990904 1.721938 -0.868855
H -3.679184 1.043816 1.627514
H -1.964016 -0.888505 -1.858646
H 0.247877 1.356265 2.657652
H 1.694708 2.362712 2.435966
H 0.066766 3.109511 2.245772
H 1.084366 3.791115 -0.203621
H 2.541203 2.848560 0.265559
H 1.624982 2.392620 -1.200237
H -5.957407 0.894248 0.599028
H -4.247613 -1.044079 -2.895589
H -6.249616 -0.149734 -1.668612


