%chk=000050205.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050205

0 1
 O  -0.1951000      -3.121100       1.667800    
 O   -5.634100       2.097100      -1.318800    
 O   -7.311000       1.000700      0.6080000    
 O    2.973700       1.782900      -1.917000    
 N   0.1156000      -1.413000      9.6799999E-02
 N    2.116600      -1.338400      -1.185600    
 N   0.9596000       1.477100     -0.8045000    
 C   -1.181600     -0.8097000      0.3986000    
 C   -2.304800      -1.370100     -0.4703000    
 C   0.9555000     -0.8580000     -0.8667000    
 C   0.4826000      -2.566100      0.8075000    
 C    1.804700      -3.127800      0.4574000    
 C   0.4882000      0.3839000      -1.588200    
 C   -3.643100     -0.7340000     -0.1850000    
 C    2.565500      -2.489500     -0.5253000    
 C    2.282000      -4.276400       1.098900    
 C   -4.022400      0.3974000     -0.8903000    
 C   -4.469200      -1.291800      0.7784000    
 C    3.817200      -3.018200     -0.8605000    
 C    3.530900      -4.791500      0.7547000    
 C    4.298100      -4.163600     -0.2242000    
 C   -5.259100      0.9858000     -0.6258000    
 C   -5.705800     -0.7033000       1.042900    
 C   -6.100800      0.4354000      0.3408000    
 C    2.186400       2.104900      -1.031000    
 C    2.544900       3.213300     -0.1092000    
 C    3.877900       3.491900      0.1111000    
 C    1.533300       3.928600      0.4971000    
 C    4.214400       4.532600      0.9769000    
 C    1.869700       4.969400       1.362900    
 C    3.210300       5.271400       1.602700    
 H   -1.417700      -1.014000       1.451400    
 H   -1.138900      0.2797000      0.3298000    
 H   -2.381400      -2.455800     -0.3217000    
 H   -2.068000      -1.254500      -1.535400    
 H  -0.5901000      0.4656000      -1.709600    
 H   0.9419000      0.4148000      -2.584700    
 H    1.698900      -4.780700       1.864400    
 H   -3.362400      0.8242000      -1.641000    
 H   -4.169100      -2.177000       1.331700    
 H    4.427400      -2.538800      -1.622300    
 H   0.3931000       1.748900     -8.8999998E-03
 H    3.905800      -5.682700       1.249500    
 H    5.271000      -4.565000     -0.4923000    
 H   -6.356700      -1.136500       1.797600    
 H    4.671400       2.923100     -0.3641000    
 H   0.4800000       3.747600      0.3109000    
 H   -4.927800       2.334300      -1.944000    
 H   -7.419800       1.777100      3.1700000E-02
 H    5.258000       4.767300       1.164400    
 H    1.088300       5.550000       1.844400    
 H    3.472200       6.082700       2.275500    


%chk=000050205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050205

0 1
O -0.237815 -3.607938 1.695770
O -3.102369 3.001534 -1.593866
O -5.441490 3.029812 -0.146416
O -0.350949 2.368690 -1.735192
N 0.401957 -1.924515 0.190426
N 2.458802 -2.039575 -1.065602
N 1.266864 1.080324 -0.670452
C -0.854183 -1.204134 0.541541
C -2.116647 -1.671769 -0.253438
C 1.322350 -1.427407 -0.748698
C 0.617676 -3.175906 0.867578
C 1.875728 -3.856069 0.517653
C 1.046933 -0.125551 -1.497692
C -3.119523 -0.525148 -0.289190
C 2.758913 -3.262659 -0.439494
C 2.209237 -5.093684 1.126558
C -2.758659 0.617196 -1.045486
C -4.307004 -0.476553 0.478420
C 3.972532 -3.925743 -0.772891
C 3.411508 -5.736972 0.790146
C 4.292907 -5.149365 -0.162452
C -3.494379 1.805873 -0.967198
C -5.104106 0.697962 0.499289
C -4.695358 1.846143 -0.207034
C 0.559435 2.258193 -0.840267
C 0.918322 3.396202 0.071275
C 0.605981 4.711805 -0.358409
C 1.524660 3.202635 1.341452
C 0.915186 5.818728 0.458003
C 1.829139 4.312054 2.158697
C 1.530845 5.622164 1.716744
H -1.025245 -1.363674 1.619073
H -0.686312 -0.131082 0.373391
H -2.532238 -2.579649 0.215406
H -1.808679 -1.942842 -1.282950
H 0.020721 -0.073842 -1.892931
H 1.740108 -0.130872 -2.356709
H 1.509353 -5.519931 1.852525
H -1.866041 0.608108 -1.676906
H -4.611299 -1.344590 1.074178
H 4.632258 -3.457192 -1.509309
H 2.105936 1.093570 -0.086830
H 3.673149 -6.691783 1.257958
H 5.227893 -5.657863 -0.421804
H -6.026647 0.745981 1.085883
H 0.125533 4.846905 -1.332716
H 1.720072 2.192774 1.722283
H -2.119262 2.963997 -1.800343
H -4.965829 3.717363 -0.685265
H 0.675271 6.831326 0.117145
H 2.284353 4.155294 3.142291
H 1.766613 6.481875 2.353253


