%chk=000094333.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094333

0 1
 O    2.966000      0.1262000      1.3700000E-02
 O   -7.825600      0.8187000     -0.8736000    
 O    4.272200      -1.272000      -1.273900    
 O    8.985800      0.5732000     -0.3524000    
 O    7.578900       1.792700      0.9496000    
 C  -0.4504000      -1.137100     -0.1431000    
 C   0.5101000      1.6799999E-02  0.2058000    
 C   -1.850300     -0.9279000      0.4369000    
 C   -2.443900      0.3873000     -0.1491000    
 C  -3.9900001E-02   1.301900     -0.4252000    
 C    1.797000     -0.5237000     -0.4467000    
 C   0.3377000      -2.385700      0.2430000    
 C   -1.481000       1.589000      3.3199999E-02
 C   -3.865000      0.6679000      0.4285000    
 C    1.796900      -2.022400     -8.6900003E-02
 C   -2.782400      -2.105000      0.1256000    
 C   0.7289000      0.2418000       1.723700    
 C   -4.163600      -1.872400      0.7279000    
 C   -4.762600     -0.5560000      0.2985000    
 C   -4.486000       1.907900     -0.2475000    
 C   -5.972900       2.041800      2.9999999E-02
 C   -6.034700     -0.5093000     -0.1283000    
 C   -6.694100      0.7896000     -0.3954000    
 C    4.157000     -0.3479000     -0.4811000    
 C    5.300000      0.4493000      0.1098000    
 C    6.660300      4.9500000E-02 -0.4489000    
 C    7.761400      0.9058000      0.1257000    
 H  -0.5642000      -1.177100      -1.239600    
 H   -1.786300     -0.8383000       1.528400    
 H   -2.552300      0.2385000      -1.235000    
 H  -3.6300000E-02   1.213600      -1.519500    
 H   0.6018000       2.157800     -0.1837000    
 H    1.735200     -0.4068000      -1.537900    
 H   9.9999998E-03  -3.267200     -0.3177000    
 H   0.2323000      -2.613000       1.309700    
 H   -1.480700       1.903200       1.083400    
 H   -1.842900       2.448000     -0.5432000    
 H   -3.767000      0.8790000       1.502900    
 H    2.449300      -2.252800      0.7630000    
 H    2.144600      -2.622500     -0.9352000    
 H   -2.371800      -3.034200      0.5371000    
 H   -2.867700      -2.245600     -0.9596000    
 H  -0.1964000      0.4822000       2.253800    
 H    1.160100     -0.6343000       2.218300    
 H    1.417500       1.077600       1.893800    
 H   -4.085900      -1.875200       1.822700    
 H   -4.813100      -2.714200      0.4590000    
 H   -4.333000       1.852400      -1.333800    
 H   -3.983700       2.818000      9.9799998E-02
 H   -6.374500       2.889300     -0.5358000    
 H   -6.166600       2.213600       1.094200    
 H   -6.645000      -1.400600     -0.2243000    
 H    5.286400      0.3045000       1.196500    
 H    5.112500       1.509200     -0.1003000    
 H    6.666900      0.1651000      -1.538500    
 H    6.871700     -0.9978000     -0.2064000    
 H    9.694200       1.129800      3.5799999E-02


%chk=000094333-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094333

0 1
O 3.041563 -0.155476 0.309317
O -7.857245 1.123644 -1.063818
O 4.262810 -0.946062 -1.516916
O 8.720604 1.623784 -0.928496
O 8.118051 0.669789 1.099823
C -0.477944 -1.324174 0.019077
C 0.538398 -0.189614 0.374852
C -1.908427 -1.017490 0.502516
C -2.389428 0.314779 -0.156197
C 0.081244 1.109084 -0.327757
C 1.817907 -0.843761 -0.201037
C 0.231129 -2.627900 0.479548
C -1.377133 1.476067 0.057679
C -3.828253 0.716439 0.322800
C 1.753239 -2.339892 0.231823
C -2.898070 -2.155903 0.174180
C 0.698077 0.038110 1.901642
C -4.320882 -1.809011 0.675033
C -4.805619 -0.453734 0.195122
C -4.342339 1.974512 -0.427200
C -5.846607 2.236419 -0.206308
C -6.082438 -0.296313 -0.282378
C -6.687578 1.017073 -0.582234
C 4.204489 -0.298090 -0.444736
C 5.366671 0.411272 0.230002
C 6.491413 0.737200 -0.767252
C 7.812857 0.987194 -0.071484
H -0.524714 -1.359464 -1.095033
H -1.897576 -0.886538 1.607239
H -2.453528 0.119719 -1.251685
H 0.139949 0.967302 -1.427584
H 0.754939 1.950906 -0.075024
H 1.836099 -0.761413 -1.304746
H -0.117204 -3.511017 -0.083519
H 0.033677 -2.824735 1.550158
H -1.416994 1.799555 1.118098
H -1.684549 2.351670 -0.543150
H -3.746436 0.958440 1.409610
H 2.345814 -2.482144 1.153482
H 2.187946 -2.992147 -0.543431
H -2.565518 -3.101323 0.643155
H -2.916022 -2.324719 -0.922152
H -0.234731 0.403867 2.362605
H 0.992956 -0.884275 2.431785
H 1.486435 0.788272 2.084397
H -4.292974 -1.789214 1.787000
H -5.044583 -2.594797 0.391202
H -4.155693 1.837388 -1.512111
H -3.767444 2.863258 -0.111121
H -6.201245 3.107084 -0.785099
H -6.037999 2.458485 0.864740
H -6.742326 -1.165082 -0.406449
H 5.762770 -0.251304 1.024616
H 4.996575 1.312852 0.746495
H 6.246604 1.607153 -1.400778
H 6.623750 -0.113488 -1.465033
H 9.590436 1.739964 -0.457572


