%chk=000038522.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038522

0 1
 O  -0.8810000     -0.9200000     -0.8629000    
 O   0.8030000       3.241900      0.7354000    
 O   -1.318700      -3.068700     -0.4996000    
 O   -1.222700      -1.653200       1.313100    
 C   0.4498000      0.9656000     -4.0199999E-02
 C    1.814000      0.4409000     -2.6000001E-02
 C  -0.6919000      0.3472000     -0.4007000    
 C   -1.832100       1.235500     -0.2775000    
 C   -1.377800       2.467600      0.1737000    
 C    2.636900      0.5595000      -1.156700    
 C    2.324800     -0.1904000       1.118600    
 C   6.7900002E-02   2.359000      0.3433000    
 C    4.433800     -0.5660000      1.3000000E-03
 C    3.938900      5.9000000E-02  -1.143200    
 C    3.626700     -0.6907000       1.132200    
 C   -3.179700       1.043800     -0.5273000    
 C   -2.211900       3.545500      0.3969000    
 C    2.143400       1.223000      -2.402800    
 C    1.491000     -0.3443000       2.350600    
 C   -4.051900       2.117000     -0.3111000    
 C   -3.571400       3.357500      0.1472000    
 C    5.825600      -1.101500      1.5900001E-02
 C   -1.146200      -1.859800      0.1086000    
 C   -2.214300      -3.971500      0.1578000    
 C   -3.584100      -3.320600      0.2758000    
 C   -2.272300      -5.276200     -0.6220000    
 H    4.572100      0.1512000      -2.022500    
 H    4.012400      -1.182200       2.022500    
 H   -3.562100      9.2200004E-02 -0.8815000    
 H   -1.835700       4.498300      0.7501000    
 H    1.290100      0.6775000      -2.818900    
 H    1.852300       2.259100      -2.201100    
 H    2.915100       1.253900      -3.180100    
 H    1.075800      -1.355000       2.395600    
 H    2.110400     -0.1965000       3.243400    
 H   0.6781000      0.3815000       2.431400    
 H   -5.114900       1.991900     -0.4996000    
 H   -4.268300       4.175700      0.3075000    
 H    6.249900      -1.073800       1.025300    
 H    5.833400      -2.136800     -0.3391000    
 H    6.484800     -0.5055000     -0.6244000    
 H   -1.820600      -4.192600       1.157700    
 H   -4.319400      -4.028600      0.6721000    
 H   -3.579100      -2.452600      0.9417000    
 H   -3.934800      -2.968500     -0.7009000    
 H   -2.932100      -6.002400     -0.1378000    
 H   -1.271800      -5.714100     -0.7066000    
 H   -2.627400      -5.104700      -1.644200    


%chk=000038522-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038522

0 1
O -1.609758 -0.452825 -0.703510
O 0.989091 3.330926 0.941086
O -1.434156 -2.662911 -0.887190
O -0.914902 -1.692340 1.191445
C 0.109629 1.136744 0.176655
C 1.349129 0.323758 0.182988
C -1.161974 0.785238 -0.225857
C -2.109999 1.924662 -0.189863
C -1.385108 3.050954 0.288004
C 1.889436 -0.161030 -1.050043
C 2.021336 0.050298 1.413798
C 0.038966 2.608066 0.537568
C 3.779712 -1.179295 0.181439
C 3.096410 -0.900539 -1.026027
C 3.223271 -0.693305 1.389002
C -3.468809 2.021119 -0.513675
C -1.999513 4.294690 0.454305
C 1.219093 0.127448 -2.384595
C 1.443780 0.512071 2.738440
C -4.100531 3.289348 -0.352512
C -3.381979 4.408309 0.123337
C 5.062675 -1.992775 0.183562
C -1.260311 -1.637313 -0.000942
C -1.197539 -4.061043 -0.334164
C -2.443137 -4.499896 0.444700
C -0.885870 -4.911409 -1.564706
H 3.518277 -1.254590 -1.975489
H 3.735028 -0.900741 2.337345
H -4.027507 1.156074 -0.883503
H -1.430544 5.152378 0.827700
H 0.258898 -0.411769 -2.490222
H 0.998458 1.204088 -2.504759
H 1.868978 -0.180315 -3.221524
H 0.397890 0.170207 2.846687
H 2.025632 0.109529 3.585144
H 1.450247 1.614406 2.815084
H -5.161634 3.397262 -0.602877
H -3.891837 5.370826 0.237783
H 5.712244 -1.720336 1.033982
H 4.849125 -3.076587 0.268040
H 5.637545 -1.844048 -0.747707
H -0.324556 -3.986104 0.340587
H -2.299279 -5.527492 0.825196
H -2.622975 -3.838849 1.309032
H -3.332693 -4.493369 -0.209238
H -0.667072 -5.948566 -1.253478
H -0.009156 -4.515083 -2.103780
H -1.746014 -4.927772 -2.256250


