%chk=000042730.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042730

0 1
 O    2.844700      0.9092000      -1.674400    
 O   -3.990200       1.808200      0.1907000    
 O   -5.332600     -0.1774000      0.4413000    
 C    4.850700      3.0500000E-02  0.5171000    
 C    3.311400      0.2373000      0.6256000    
 C    2.481700     -9.8999999E-03 -0.6475000    
 C    5.534300      0.2456000       1.878200    
 C    5.215700      -1.364100     -1.4900000E-02
 C    5.399100       1.081700     -0.4707000    
 C    1.012000      0.1720000     -0.3675000    
 C   9.8200001E-02 -0.7887000     -0.5781000    
 C   -1.343600     -0.6636000     -0.3079000    
 C   -1.904300      0.6022000     -0.2025000    
 C   -3.258900      0.6689000      5.1600002E-02
 C   -2.110000      -1.823500     -0.1647000    
 C   -4.025500     -0.4650000      0.1948000    
 C   -3.479800      -1.728000      9.2000000E-02
 C   -5.303100       1.264400      0.4368000    
 H    3.129200       1.263400      0.9762000    
 H    2.936000     -0.4270000       1.416700    
 H    2.672600      -1.020000      -1.024700    
 H    6.621600      0.1307000       1.805800    
 H    5.329300       1.249200       2.267300    
 H    5.170700     -0.4786000       2.615600    
 H    4.862400      -1.521500      -1.038900    
 H    6.302200      -1.509900     -2.4800001E-02
 H    4.780900      -2.147000      0.6160000    
 H    6.492600       1.138600     -0.4004000    
 H    5.183300      0.8352000      -1.514100    
 H    5.012200       2.083700     -0.2545000    
 H   0.7338000       1.141400      3.5500001E-02
 H   0.4244000      -1.752300     -0.9631000    
 H    2.330300      0.6846000      -2.468800    
 H   -1.347500       1.523300     -0.3269000    
 H   -1.658400      -2.809100     -0.2482000    
 H   -4.087100      -2.618600      0.2062000    
 H   -5.984500       1.626900     -0.3412000    
 H   -5.655800       1.625700       1.409700    


%chk=000042730-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042730

0 1
O 2.976914 0.611045 -1.875328
O -4.141891 1.797950 0.415986
O -5.498104 -0.184460 0.322226
C 4.941980 0.100000 0.459467
C 3.401786 0.375293 0.526596
C 2.529423 -0.109462 -0.648383
C 5.505480 0.275506 1.897381
C 5.230886 -1.345386 -0.024810
C 5.649207 1.111891 -0.482493
C 1.061274 0.163307 -0.417343
C 0.105700 -0.811910 -0.423346
C -1.347080 -0.655178 -0.226452
C -1.953897 0.622847 0.009146
C -3.334127 0.657498 0.175559
C -2.168457 -1.817430 -0.277660
C -4.135035 -0.506614 0.121132
C -3.576518 -1.765692 -0.104680
C -5.534870 1.290619 0.523090
H 3.238821 1.464379 0.656420
H 2.998429 -0.120015 1.433800
H 2.677643 -1.201357 -0.795324
H 6.606747 0.168498 1.900840
H 5.262242 1.278202 2.298253
H 5.086165 -0.479833 2.589699
H 4.944778 -1.476633 -1.084053
H 6.311527 -1.567388 0.059515
H 4.684183 -2.093919 0.581482
H 6.735685 0.902766 -0.525818
H 5.228047 1.057600 -1.498913
H 5.516904 2.147491 -0.114330
H 0.803364 1.220701 -0.259627
H 0.441129 -1.847516 -0.591647
H 2.317929 0.421437 -2.592271
H -1.361978 1.539841 0.058715
H -1.695262 -2.789470 -0.457528
H -4.195093 -2.665386 -0.146152
H -6.146399 1.745051 -0.275117
H -5.919533 1.504230 1.535266


