%chk=000018440.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018440

0 1
 O   0.6476000     -0.4507000     -0.8329000    
 O  -0.8458000     -0.6571000       1.372200    
 O   -1.067400      -1.750700      -1.643400    
 N    4.823700     -0.1489000     -1.7100001E-02
 C    3.466700     -0.6772000     -0.2136000    
 C    3.648600      -2.174300      4.5400001E-02
 C    4.870300      -2.280300      0.9517000    
 C    5.333800     -0.8487000       1.164400    
 C    2.908200     -0.4084000      -1.605300    
 C    4.860000       1.297500      0.1616000    
 C    1.531700      -1.024900      -1.785600    
 C    6.278000       1.785200      0.4058000    
 C   -1.503100     -0.1786000      0.1811000    
 C  -0.6496000     -0.9041000     -0.8623000    
 C   -2.974700     -0.5994000      0.1831000    
 C   -1.371000       1.343700      9.7000003E-02
 C   -3.627400     -0.8593000      -1.021900    
 C   -1.328600       2.105700       1.264600    
 C   -3.663200     -0.7235000       1.390100    
 C   -1.292400       1.969500      -1.147200    
 C  -0.9072000      -2.067500       1.445800    
 C   -4.968500      -1.243000      -1.020200    
 C   -1.207900       3.493200       1.188200    
 C   -5.004200      -1.107300       1.391600    
 C   -1.171600       3.357100      -1.223600    
 C   -5.656800      -1.367100      0.1865000    
 C   -1.129400       4.118900     -5.5900000E-02
 H    2.794500     -0.2683000      0.5542000    
 H    3.835300      -2.737800     -0.8768000    
 H    2.764200      -2.604900      0.5278000    
 H    5.648900      -2.871600      0.4554000    
 H    4.630500      -2.770600       1.900600    
 H    6.425000     -0.8120000       1.243300    
 H    4.898800     -0.4549000       2.092200    
 H    3.584500     -0.7966000      -2.376700    
 H    2.824200      0.6735000      -1.762600    
 H    4.493900       1.791400     -0.7451000    
 H    4.215900       1.621900      0.9887000    
 H    1.167800     -0.7979000      -2.794600    
 H    1.559900      -2.113200      -1.665100    
 H    6.965100       1.424100     -0.3671000    
 H    6.660100       1.479400       1.384800    
 H    6.301000       2.880200      0.3812000    
 H   -3.146100     -0.7189000      -1.984400    
 H   -1.396300       1.642700       2.245100    
 H   -3.185300     -0.5097000       2.342100    
 H   -1.334500       1.399200      -2.071000    
 H   -1.763700      -2.562000      0.9792000    
 H   1.4700000E-02  -2.499600       1.039900    
 H  -0.9214000      -2.335800       2.507700    
 H   -5.480900      -1.432000      -1.959000    
 H   -1.177000       4.086800       2.097200    
 H   -5.541900      -1.199200       2.330800    
 H   -1.113100       3.844700      -2.192300    
 H   -6.702000      -1.661900      0.1876000    
 H   -1.036500       5.199300     -0.1156000    


%chk=000018440-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018440

0 1
O 0.576314 -1.096883 -0.564682
O -1.703737 -1.483426 1.689627
O -1.032527 -2.701935 -1.030969
N 4.538500 0.392535 -0.266315
C 3.500267 -0.671931 -0.047229
C 4.261165 -1.843228 0.652929
C 5.762602 -1.452590 0.565609
C 5.709064 0.086723 0.593409
C 2.855503 -1.059107 -1.400621
C 4.017261 1.772746 -0.167021
C 1.605343 -1.927873 -1.272638
C 5.014607 2.824290 -0.686610
C -1.639884 -0.742514 0.391132
C -0.705222 -1.609079 -0.502698
C -3.049342 -0.555197 -0.196806
C -1.004974 0.619333 0.730820
C -3.419248 -0.921158 -1.512623
C -0.323425 0.822501 1.953614
C -4.017173 0.054534 0.645461
C -1.073973 1.677318 -0.208424
C -2.436396 -2.762762 1.685204
C -4.731942 -0.673149 -1.979940
C 0.279150 2.070013 2.233084
C -5.327310 0.290564 0.184164
C -0.462914 2.919455 0.066704
C -5.689897 -0.069869 -1.136447
C 0.217558 3.121477 1.290367
H 2.692633 -0.295338 0.620972
H 4.055199 -2.819957 0.178069
H 3.951188 -1.920407 1.710997
H 6.198794 -1.790672 -0.391733
H 6.364164 -1.873781 1.389652
H 6.627371 0.553113 0.194389
H 5.568679 0.450574 1.645224
H 3.603222 -1.601015 -2.012578
H 2.595983 -0.138537 -1.956429
H 3.086728 1.829490 -0.762985
H 3.727735 2.020496 0.888454
H 1.194751 -2.229478 -2.252892
H 1.773413 -2.839304 -0.669099
H 5.307037 2.592725 -1.726311
H 5.931587 2.857783 -0.070560
H 4.558594 3.831245 -0.663809
H -2.699158 -1.415075 -2.170683
H -0.279451 0.004870 2.677135
H -3.727970 0.340034 1.663211
H -1.612875 1.533917 -1.152034
H -3.494399 -2.619083 1.397680
H -1.969749 -3.496507 1.003486
H -2.374956 -3.115234 2.727089
H -5.004609 -0.960004 -3.001810
H 0.797916 2.219778 3.187082
H -6.062626 0.759913 0.847323
H -0.523859 3.730082 -0.668400
H -6.706209 0.117849 -1.500786
H 0.686900 4.087837 1.507844


