%chk=000017967.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017967

0 1
 O   -3.312100      -2.648000       1.519700    
 O    3.311400      -2.647600      -1.521100    
 O   -1.146800      -2.618000       1.160100    
 O    1.146400      -2.617600      -1.159900    
 O   -5.213300       2.702300     -0.9623000    
 O    5.214700       2.701500      0.9621000    
 O   -6.093200      0.9795000      7.5400002E-02
 O    6.093700      0.9791000     -7.6899998E-02
 N   3.0000001E-04 -0.7405000      8.9999998E-04
 N   -2.282000      -2.094800       1.068900    
 N    2.281600      -2.094500      -1.069200    
 N   -5.102700       1.586900     -0.3985000    
 N    5.103700       1.586300      0.3978000    
 C   -1.290400     -0.1717000     -8.9199997E-02
 C    1.284700     -0.1745000      9.0000004E-02
 C   -2.405500     -0.8288000      0.4306000    
 C    2.405700     -0.8288000     -0.4305000    
 C   -1.438600       1.067900     -0.7114000    
 C    1.439700       1.067500      0.7131000    
 C   -3.668700     -0.2463000      0.3285000    
 C    3.669100     -0.2464000     -0.3290000    
 C   -3.816900      0.9933000     -0.2937000    
 C    3.817800      0.9929000      0.2937000    
 C   -2.701800       1.650500     -0.8137000    
 C    2.703100       1.649900      0.8147000    
 H  -1.9000000E-03  -1.753700     -1.4000000E-03
 H  -0.5941000       1.592300      -1.149900    
 H   0.5961000       1.592900       1.152800    
 H   -4.540900     -0.7551000      0.7323000    
 H    4.541000     -0.7551000     -0.7337000    
 H   -2.780400       2.614300      -1.310200    
 H    2.782100       2.613500       1.311500    


%chk=000017967-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017967

0 1
O -3.452664 -2.664791 1.548657
O 3.454079 -2.664098 -1.549854
O -1.354635 -2.957873 0.710245
O 1.356853 -2.960930 -0.711475
O -5.193263 2.887359 -0.788706
O 5.193157 2.885875 0.789654
O -6.170211 1.009723 0.075423
O 6.170092 1.008237 -0.074498
N -0.000395 -0.803210 -0.000252
N -2.420883 -2.239133 0.911824
N 2.422160 -2.240455 -0.911949
N -5.145300 1.684548 -0.320446
N 5.145178 1.683116 0.321269
C -1.251809 -0.185005 -0.061576
C 1.251521 -0.186117 0.061551
C -2.448077 -0.867071 0.362205
C 2.447953 -0.868437 -0.361965
C -1.417692 1.129131 -0.602811
C 1.417517 1.127970 0.602869
C -3.715540 -0.256519 0.287297
C 3.715346 -0.257750 -0.286891
C -3.814635 1.040332 -0.232557
C 3.814469 1.039013 0.233103
C -2.672159 1.737870 -0.693945
C 2.671991 1.736576 0.694367
H -0.000716 -1.846319 -0.000725
H -0.545322 1.649622 -1.004517
H 0.545100 1.648672 1.004194
H -4.602919 -0.792354 0.634596
H 4.602793 -0.793580 -0.634041
H -2.792717 2.733052 -1.129873
H 2.792529 2.731747 1.130326


