%chk=000042731.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042731

0 1
 O   -3.229700       1.025300      -1.309800    
 O    3.690200       1.788400      0.2045000    
 O    5.030900     -0.2130000      0.2707000    
 C   -5.148500      5.2099999E-02  0.8304000    
 C   -3.627900      0.2753000      0.9427000    
 C   -2.827000      4.6999998E-02 -0.3486000    
 C   -5.494000      -1.354400      0.3399000    
 C   -5.754500       1.091800     -0.1165000    
 C   -1.345800      0.2052000     -0.1483000    
 C  -0.4538000     -0.7475000     -0.4631000    
 C    1.001600     -0.6427000     -0.2700000    
 C    2.943900      0.6609000      4.9800001E-02
 C    1.576500      0.6134000     -0.1288000    
 C    3.709500     -0.4819000      8.7600000E-02
 C    1.767100      -1.811600     -0.2337000    
 C    3.150000      -1.735400     -5.1300000E-02
 C    5.011400       1.227000      0.3445000    
 H   -5.582100      0.1945000       1.828000    
 H   -3.456400       1.298800       1.303500    
 H   -3.241800     -0.3967000       1.720900    
 H   -3.049600     -0.9405000     -0.7652000    
 H   -5.003400      -2.113200      0.9582000    
 H   -6.574900      -1.521400      0.4038000    
 H   -5.202100      -1.517500     -0.7022000    
 H   -5.378800       2.098900      9.1499999E-02
 H   -6.841800       1.119500      2.3200000E-02
 H   -5.590600      0.8551000      -1.171700    
 H   -1.036700       1.149500      0.2904000    
 H  -0.8090000      -1.687400     -0.8797000    
 H    1.020300       1.542100     -0.1720000    
 H   -2.767600      0.8289000      -2.143000    
 H    1.304700      -2.789500     -0.3441000    
 H    3.756800      -2.633300     -2.0900000E-02
 H    5.422400       1.534500       1.313000    
 H    5.649200       1.627900     -0.4517000    


%chk=000042731-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042731

0 1
O -3.375223 0.711238 -1.573593
O 3.855442 1.780088 0.404036
O 5.195895 -0.201220 0.168687
C -5.217793 0.110760 0.802634
C -3.682447 0.383444 0.829756
C -2.868728 -0.061314 -0.402074
C -5.554317 -1.328618 0.342708
C -5.999193 1.154652 -0.032289
C -1.389358 0.195010 -0.233239
C -0.440845 -0.782947 -0.323305
C 1.020685 -0.638615 -0.191617
C 3.031413 0.651851 0.161407
C 1.644499 0.627670 0.062049
C 3.823046 -0.511658 0.023683
C 1.832867 -1.800605 -0.326787
C 3.247963 -1.759660 -0.221367
C 5.249660 1.265423 0.421135
H -5.556246 0.209717 1.856844
H -3.507622 1.466408 0.988574
H -3.243317 -0.145649 1.699913
H -3.032642 -1.145621 -0.584391
H -4.979668 -2.085975 0.910157
H -6.629867 -1.539914 0.488962
H -5.333783 -1.458725 -0.732848
H -5.825508 2.178359 0.350017
H -7.086972 0.954295 0.013327
H -5.671815 1.128918 -1.084344
H -1.117459 1.244469 -0.047903
H -0.789615 -1.810026 -0.515005
H 1.060280 1.543950 0.175333
H -2.755434 0.549321 -2.331212
H 1.346812 -2.763808 -0.519423
H 3.859331 -2.659041 -0.326939
H 5.686647 1.440801 1.419344
H 5.821814 1.747122 -0.390229


