%chk=000050791.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050791

0 1
 O  -6.8099998E-02 -0.8488000     -0.2266000    
 O   -1.337500      -2.555300      0.6540000    
 N    2.523500      0.3778000      4.5200001E-02
 N   -5.516200       2.227500     -0.1827000    
 C    3.603300       1.154400     -0.5668000    
 C    1.099200      -1.679100     -0.1748000    
 C    2.262000     -0.8299000     -0.7212000    
 C    4.889300      0.3096000     -0.6246000    
 C    3.865200       2.460800      0.2061000    
 C    1.316100      -2.087800       1.285100    
 C   0.8357000      -2.911800      -1.044500    
 C    5.404100     -0.1015000      0.7496000    
 C    2.652000       3.378500      0.2874000    
 C   -1.214300      -1.420300      0.2204000    
 C   -2.343700     -0.4625000      0.1132000    
 C   -3.616200     -0.9526000     -9.7900003E-02
 C   -2.086300      0.8883000      0.2293000    
 C   -4.677500     -5.2900001E-02 -0.1975000    
 C   -3.147500       1.788000      0.1298000    
 C   -4.443100       1.317500     -8.3600000E-02
 H    3.320100       1.425600      -1.592700    
 H    3.129000      -1.496000     -0.7322000    
 H    2.030900     -0.5549000      -1.758900    
 H    1.671400      0.9347000      8.6900003E-02
 H    4.796300     -0.5642000      -1.276400    
 H    5.672800      0.9145000      -1.101700    
 H    4.183900       2.256700       1.234100    
 H    4.683200       3.007700     -0.2789000    
 H    1.137900      -1.250400       1.969500    
 H   0.6858000      -2.916600       1.619100    
 H    2.347300      -2.430500       1.433100    
 H   0.3847000      -2.626500      -2.002200    
 H   0.1834000      -3.662300     -0.5914000    
 H    1.777000      -3.431300      -1.259500    
 H    5.739300      0.7557000       1.339500    
 H    4.655500     -0.6543000       1.324300    
 H    6.272600     -0.7586000      0.6295000    
 H    2.245100       3.581100     -0.7083000    
 H    1.859100       2.950400      0.9078000    
 H    2.937300       4.335600      0.7363000    
 H   -3.810600      -2.017000     -0.1914000    
 H   -1.089500       1.279800      0.4096000    
 H   -5.682600     -0.4318000     -0.3644000    
 H   -2.952600       2.853400      0.2237000    
 H   -6.455500       1.887200     -0.3397000    
 H   -5.346300       3.221100     -0.1025000    


%chk=000050791-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050791

0 1
O 0.038562 -1.053421 -0.289947
O -1.483039 -2.676150 0.470063
N 2.548128 0.099116 0.013046
N -5.196018 2.640879 0.038010
C 3.533845 1.104431 -0.453271
C 1.233266 -2.000785 -0.329642
C 2.352993 -1.071734 -0.859099
C 4.988750 0.574252 -0.301476
C 3.317733 2.433830 0.313704
C 1.534310 -2.516771 1.089925
C 0.955790 -3.134447 -1.334538
C 5.394634 0.236563 1.149032
C 2.000267 3.160134 -0.042955
C -1.228410 -1.493763 0.114756
C -2.225538 -0.394779 0.073979
C -3.550063 -0.668429 0.512623
C -1.917214 0.915807 -0.382644
C -4.535404 0.328423 0.503709
C -2.895229 1.921887 -0.397571
C -4.223941 1.646293 0.048403
H 3.386413 1.325054 -1.545818
H 3.285585 -1.667196 -0.898402
H 2.099907 -0.787937 -1.912169
H 1.634714 0.524208 0.219653
H 5.108329 -0.329602 -0.931981
H 5.676287 1.334436 -0.724992
H 3.347722 2.228763 1.400992
H 4.170301 3.103672 0.087014
H 1.743468 -1.671016 1.765109
H 0.692730 -3.111940 1.476296
H 2.436133 -3.156007 1.057129
H 0.645315 -2.720937 -2.310924
H 0.164884 -3.803293 -0.962208
H 1.878104 -3.725451 -1.486363
H 5.452807 1.143441 1.778287
H 4.647841 -0.440376 1.600437
H 6.384138 -0.255798 1.179749
H 1.933736 3.344686 -1.132203
H 1.106608 2.579976 0.257215
H 1.937223 4.136653 0.471408
H -3.781002 -1.681134 0.859811
H -0.903972 1.131467 -0.733971
H -5.551603 0.100183 0.847487
H -2.642243 2.927689 -0.754754
H -6.142303 2.448244 0.353952
H -4.979043 3.579879 -0.283761


