%chk=000005583.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005583

0 1
 O    4.766200       2.272800      2.2100000E-02
 O    4.848600      -2.515600     -3.4400001E-02
 O    6.189600     -9.9500000E-02  0.1562000    
 N   0.6645000     -0.1869000     -0.4924000    
 N   -5.619400     -0.3330000      -1.182500    
 N   -5.935200     -0.3432000       1.206400    
 N   -4.190500      0.1178000       2.669100    
 N   -7.714900     -0.8130000     -0.2429000    
 C   -1.598000      0.6512000     -0.6961000    
 C   -2.410500      0.4858000      0.4210000    
 C  -0.1516000       1.004000     -0.5715000    
 C   -3.767000      0.1539000      0.2607000    
 C   -4.323300     -1.5699999E-02  -1.017700    
 C   -2.137200      0.4858000      -1.967100    
 C   -3.487200      0.1558000      -2.118300    
 C   -1.752300      0.6815000       1.754000    
 C    2.039400     -0.1651000     -0.3312000    
 C   -4.633300     -2.5500000E-02   1.335400    
 C    2.778600      -1.361400     -0.2612000    
 C    2.736900       1.054000     -0.2325000    
 C    4.122000       1.075900     -6.9899999E-02
 C    4.163700      -1.339600     -9.8099999E-02
 C    4.835500     -0.1210000     -2.4999999E-03
 C   -6.354900     -0.4796000     -6.1799999E-02
 C    4.924500       2.824900       1.327500    
 C    5.026600      -3.092600       1.257700    
 C    6.979600     -7.1599998E-02  -1.030200    
 H   0.1358000       1.556100      -1.478500    
 H   3.7900001E-02   1.723100      0.2320000    
 H   -1.522800      0.6064000      -2.855600    
 H   0.2163000      -1.094600     -0.5596000    
 H   -3.884700      3.1300001E-02  -3.123900    
 H   -1.867000     -0.2058000       2.381200    
 H  -0.6664000      0.7778000       1.746300    
 H   -2.115900       1.590700       2.241500    
 H    2.263800      -2.317600     -0.3357000    
 H    2.218000       2.007700     -0.2859000    
 H   -3.918700       1.047500       2.963700    
 H   -3.642100     -0.6460000       3.045700    
 H   -8.309100     -0.9333000      0.5657000    
 H   -8.078500     -0.9259000      -1.179100    
 H    3.948000       3.018700       1.782700    
 H    5.462000       3.772700       1.235800    
 H    5.508500       2.151500       1.962800    
 H    5.587300      -2.414600       1.908800    
 H    5.596400      -4.018800       1.143800    
 H    4.057600      -3.330700       1.707900    
 H    6.796600     -0.9646000      -1.636200    
 H    8.033500     -5.7000000E-02 -0.7394000    
 H    6.765800      0.8288000      -1.614700    


%chk=000005583-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005583

0 1
O 4.700500 2.433718 0.046044
O 4.762964 -2.519824 0.140098
O 6.229927 -0.032402 0.282135
N 0.589770 -0.116463 -0.419614
N -5.810114 -0.236799 -1.292400
N -6.133781 -0.469978 1.115426
N -4.543372 -0.027857 2.699581
N -7.863371 -0.906952 -0.389877
C -1.716049 0.729657 -0.739819
C -2.480514 0.431948 0.416484
C -0.232965 1.078383 -0.673539
C -3.888064 0.137328 0.272994
C -4.484941 0.091396 -1.053908
C -2.331945 0.713018 -2.030147
C -3.676270 0.392547 -2.192233
C -1.774343 0.409295 1.769542
C 1.975648 -0.075394 -0.230978
C -4.844895 -0.126198 1.356386
C 2.702086 -1.295093 -0.093926
C 2.679062 1.157329 -0.131029
C 4.078028 1.167164 0.064621
C 4.092643 -1.273784 0.104955
C 4.811228 -0.044700 0.168687
C -6.553273 -0.526679 -0.198585
C 5.605944 2.740806 1.175038
C 5.553854 -2.782555 1.363731
C 6.903479 -0.314998 -1.008886
H 0.064387 1.567206 -1.627126
H -0.038465 1.821683 0.126594
H -1.718369 0.950620 -2.907622
H 0.164625 -1.015521 -0.647773
H -4.155660 0.359070 -3.174285
H -1.975769 -0.531574 2.315856
H -0.682854 0.459286 1.646424
H -2.070929 1.267767 2.407027
H 2.197969 -2.266268 -0.140923
H 2.177450 2.123120 -0.226651
H -3.639678 0.263426 3.049781
H -5.308855 -0.223803 3.343351
H -8.444498 -1.113448 0.416999
H -8.225739 -0.957710 -1.337629
H 5.037537 2.753604 2.125546
H 5.998132 3.747244 0.961421
H 6.424943 2.004765 1.233517
H 6.310718 -1.994375 1.520006
H 6.036298 -3.757454 1.192899
H 4.883004 -2.844846 2.242435
H 6.619288 -1.318818 -1.375306
H 7.984300 -0.277023 -0.799272
H 6.633630 0.453637 -1.756948


