%chk=000044370.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044370

0 1
 O   -1.664100      -2.872200     -0.8424000    
 O   -4.069300      -1.892000     -0.5936000    
 C  -0.8298000     -0.8520000      0.1919000    
 C   -1.773100      -2.030200      0.2969000    
 C   -1.540200      0.3165000      9.9500000E-02
 C   -3.183000      -1.372000      0.3825000    
 C   -2.890600      8.6099997E-02  0.1725000    
 C   0.5718000     -0.8186000      0.1582000    
 C  -0.9677000       1.573600     -4.7200002E-02
 C    1.244300      0.4362000      1.2800000E-02
 C   -3.768200       1.155400      9.4099998E-02
 C   0.4395000       1.614000     -9.0800002E-02
 C   -1.856500       2.662200     -0.1336000    
 C    2.684200      0.4559000     -2.3200000E-02
 C   -3.245200       2.447100     -6.4099997E-02
 C    1.320400      -1.996900      0.2668000    
 C    3.400500     -0.7647000      8.8200003E-02
 C   -5.242000      0.9590000      0.1871000    
 C    2.710100      -1.969300      0.2319000    
 C    3.462100       1.633400     -0.1651000    
 C    4.805700     -0.7780000      5.6699999E-02
 C    4.859400       1.606700     -0.1951000    
 C    5.531500      0.4002000     -8.4200002E-02
 H   -1.562400      -2.609500       1.203000    
 H   -3.611100      -1.512200       1.382300    
 H   0.9023000       2.591800     -0.2046000    
 H   -1.478400       3.674400     -0.2515000    
 H   -3.909400       3.305800     -0.1305000    
 H   0.8333000      -2.962500      0.3836000    
 H   -2.284700      -3.610100     -0.7186000    
 H   -4.227700      -2.825600     -0.3736000    
 H   -5.767300       1.908200      0.3383000    
 H   -5.495800      0.3147000       1.035300    
 H   -5.623000      0.5069000     -0.7341000    
 H    3.248600      -2.911300      0.3199000    
 H    2.993900       2.609900     -0.2566000    
 H    5.352200      -1.715600      0.1426000    
 H    5.416400       2.532600     -0.3055000    
 H    6.616700      0.3737000     -0.1069000    


%chk=000044370-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044370

0 1
O -1.875486 -2.910365 -0.841003
O -4.280666 -2.115368 -0.097362
C -0.848757 -0.939802 0.293809
C -1.815855 -2.102161 0.419431
C -1.595613 0.252672 0.155019
C -3.236800 -1.418363 0.643201
C -3.004785 0.050292 0.265192
C 0.563281 -0.910396 0.234227
C -0.985275 1.525799 -0.071557
C 1.220321 0.384369 0.029568
C -3.874671 1.130158 0.111288
C 0.435853 1.557033 -0.125952
C -1.891612 2.633549 -0.226568
C 2.693935 0.420148 -0.018741
C -3.272571 2.424854 -0.148040
C 1.359537 -2.114375 0.353273
C 3.437139 -0.808704 0.113419
C -5.380656 0.994685 0.226333
C 2.735496 -2.064532 0.294552
C 3.434314 1.628389 -0.190696
C 4.863647 -0.786828 0.065637
C 4.837274 1.631367 -0.234769
C 5.562840 0.414991 -0.106712
H -1.582535 -2.837493 1.204407
H -3.513135 -1.490815 1.712614
H 0.924028 2.521681 -0.298549
H -1.497478 3.639799 -0.410682
H -3.947879 3.280576 -0.276145
H 0.841228 -3.070083 0.485758
H -1.462408 -2.379964 -1.570309
H -3.797190 -2.634596 -0.804725
H -5.738344 1.372365 1.204650
H -5.688582 -0.058653 0.129147
H -5.895538 1.584990 -0.553910
H 3.329841 -2.981379 0.386262
H 2.909877 2.583527 -0.288667
H 5.408097 -1.733092 0.167989
H 5.375050 2.576550 -0.367183
H 6.657483 0.420776 -0.141305


