%chk=000018083.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018083

0 1
 O    5.729700       1.570000     -0.5856000    
 O   -3.502500       3.453000      7.8599997E-02
 O   0.2252000      -3.135800       2.036500    
 N    3.447200     -9.8300003E-02 -0.2565000    
 N   -1.478800       1.588000      0.8049000    
 N   0.4062000      -3.586400     -0.1964000    
 C  -0.1826000      -1.276700      0.4801000    
 C    1.061300     -0.6793000     -0.2654000    
 C  -0.4648000     -0.4747000       1.802600    
 C    2.367700     -0.6745000      0.5426000    
 C  -0.4725000       1.060200       1.724000    
 C   -1.462600      -1.316000     -0.3884000    
 C   0.1669000      -2.745300      0.8707000    
 C    3.327300       1.364900     -0.3176000    
 C    4.758500     -0.4737000      0.2903000    
 C   -1.148600       2.962300      0.4028000    
 C   -2.814700       1.549300       1.415700    
 C   -2.643100      -1.845900      0.1328000    
 C   -1.436500     -0.8212000      -1.692500    
 C    4.470600       1.943600      -1.146300    
 C    5.868500      0.1491000     -0.5517000    
 C   -2.218600       3.496100     -0.5453000    
 C   -3.845100       2.115500      0.4429000    
 C   -3.797100      -1.881300     -0.6499000    
 C   -2.590600     -0.8565000      -2.475000    
 C   -3.771000      -1.386500      -1.953700    
 H   0.8179000      0.3378000     -0.5877000    
 H    1.255100      -1.246600      -1.186400    
 H   -1.387400     -0.8204000       2.283600    
 H   0.3158000     -0.7256000       2.534900    
 H    2.264800     -0.1497000       1.498200    
 H    2.615600      -1.715300      0.7837000    
 H  -0.6100000       1.471900       2.733200    
 H   0.5254000       1.392800       1.416900    
 H    3.361100       1.792800      0.6930000    
 H    2.390200       1.679700     -0.7854000    
 H    4.879700      -1.563000      0.2814000    
 H    4.849300     -0.1289000       1.328700    
 H  -0.1804000       2.988100     -0.1105000    
 H   -1.084400       3.611200       1.286000    
 H   -2.826900       2.148200       2.336100    
 H   -3.109500      0.5303000       1.680700    
 H   -2.686900      -2.250700       1.139700    
 H  -0.5510000     -0.3959000      -2.150000    
 H    4.421700       1.612600      -2.190900    
 H    4.417300       3.037100      -1.142700    
 H    6.843900     -7.9200000E-02 -0.1103000    
 H    5.868100     -0.2433000      -1.576000    
 H   -2.006100       4.539800     -0.7978000    
 H   -2.247900       2.927100      -1.482700    
 H   -3.931600       1.502000     -0.4613000    
 H   -4.830500       2.143400      0.9189000    
 H   0.6427000      -4.561300     -4.4599999E-02
 H   0.3463000      -3.281600      -1.162200    
 H   -4.715600      -2.296100     -0.2450000    
 H   -2.571500     -0.4702000      -3.490000    
 H   -4.669600      -1.413700      -2.563000    


%chk=000018083-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018083

0 1
O 5.718947 1.671649 -0.725261
O -3.262462 3.658060 -0.110432
O 0.714591 -3.029206 2.081684
N 3.391933 -0.020698 -0.263023
N -1.332162 1.684206 0.829634
N 0.187295 -3.687020 -0.068824
C -0.233693 -1.299664 0.540396
C 0.966119 -0.652179 -0.231583
C -0.553264 -0.529437 1.868980
C 2.310533 -0.665500 0.526654
C -0.471700 1.009946 1.833997
C -1.494815 -1.409119 -0.350895
C 0.238724 -2.745540 0.940981
C 3.276654 1.460078 -0.316207
C 4.741765 -0.399925 0.234651
C -0.978444 3.123771 0.697386
C -2.783457 1.550413 1.124643
C -2.620990 -2.128716 0.140478
C -1.589182 -0.841185 -1.646156
C 4.381345 2.046158 -1.211240
C 5.826429 0.203080 -0.671370
C -1.826265 3.780137 -0.403493
C -3.614377 2.233141 0.026825
C -3.796722 -2.267691 -0.626145
C -2.764850 -0.979750 -2.420993
C -3.875967 -1.691095 -1.916316
H 0.670479 0.383433 -0.479314
H 1.129096 -1.182673 -1.188640
H -1.548811 -0.846653 2.231020
H 0.162305 -0.882743 2.635035
H 2.203735 -0.191537 1.534408
H 2.615529 -1.711781 0.710443
H -0.703336 1.377037 2.868986
H 0.570686 1.317999 1.626298
H 3.358369 1.909415 0.707754
H 2.292042 1.740973 -0.733764
H 4.827756 -1.503032 0.228197
H 4.906787 -0.047827 1.284494
H 0.095121 3.208393 0.436966
H -1.140628 3.674982 1.658791
H -3.032328 2.008038 2.116353
H -3.054202 0.480975 1.159083
H -2.570790 -2.597990 1.131491
H -0.752510 -0.270075 -2.056824
H 4.245365 1.681131 -2.252491
H 4.361582 3.148701 -1.198060
H 6.835734 -0.004342 -0.279019
H 5.728474 -0.216043 -1.696182
H -1.627434 4.863034 -0.467183
H -1.601445 3.300001 -1.381189
H -3.449990 1.710635 -0.939198
H -4.687949 2.219691 0.277342
H 0.534006 -4.626549 0.122855
H -0.273427 -3.489738 -0.956554
H -4.646689 -2.829313 -0.222036
H -2.811507 -0.527353 -3.418281
H -4.786408 -1.797501 -2.516449


