%chk=000112573.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112573

0 1
 O   -3.221800       2.040000      -1.206800    
 O    3.517400       2.262800     -0.2252000    
 O   -5.360100      -1.484700      5.9300002E-02
 O    4.947000      -1.522800      8.1699997E-02
 O   -5.425200      0.7575000      0.6084000    
 O    5.967200      0.3225000       1.024000    
 C   -2.775200       1.175700     -0.1526000    
 C    3.011300      0.9273000     -0.2328000    
 C   -1.285200       1.112400     -0.1739000    
 C    1.501500      0.9924000     -0.2124000    
 C   -3.420100     -0.2084000     -0.3298000    
 C    3.558000      0.1578000      0.9711000    
 C  -0.5513000       1.600200      0.9073000    
 C   0.8421000       1.540000      0.8880000    
 C  -0.6260000      0.5647000      -1.274400    
 C   0.7675000      0.5047000      -1.293600    
 C   -4.846600     -0.2258000      0.1647000    
 C    4.968900     -0.3153000      0.7151000    
 C   -6.706100      -1.640900      0.5194000    
 C    6.228400      -2.072400     -0.2400000    
 C   -7.125600      -3.083900      0.3364000    
 C    6.033900      -3.403700     -0.9339000    
 H   -3.111600       1.630600      0.7867000    
 H    3.356500      0.4624000      -1.164100    
 H   -3.432500     -0.5009000      -1.386000    
 H   -2.871700     -0.9581000      0.2536000    
 H    3.582000      0.7776000       1.875700    
 H    2.947400     -0.7234000       1.205900    
 H   -1.049600       2.031100       1.771500    
 H    1.397500       1.930800       1.736200    
 H   -1.180500      0.1856000      -2.128600    
 H    1.267400      7.6600000E-02  -2.158300    
 H   -2.682200       2.848900      -1.183100    
 H    3.044800       2.769500     -0.9078000    
 H   -7.368000     -0.9867000     -5.9099998E-02
 H   -6.763400      -1.370400       1.579700    
 H    6.806000      -2.215400      0.6801000    
 H    6.764700      -1.384300     -0.9029000    
 H   -7.056300      -3.374700     -0.7171000    
 H   -6.461500      -3.752000      0.8948000    
 H   -8.152400      -3.239200      0.6789000    
 H    5.482900      -4.097100     -0.2899000    
 H    5.442100      -3.279500      -1.846800    
 H    6.996000      -3.853000      -1.195000    


%chk=000112573-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112573

0 1
O -3.388066 0.768729 -1.770659
O 3.703208 1.570198 0.011426
O -5.808007 -1.146775 0.406718
O 5.422815 -1.266927 -0.108962
O -5.524398 1.125142 0.838555
O 5.663928 -0.665843 2.129080
C -2.857991 0.852432 -0.393989
C 3.010867 0.276617 -0.166040
C -1.338417 0.723823 -0.358132
C 1.497411 0.446050 -0.243904
C -3.561271 -0.294628 0.356786
C 3.438827 -0.560638 1.057731
C -0.573728 1.491879 0.555365
C 0.828834 1.352996 0.616832
C -0.669222 -0.174908 -1.225741
C 0.734596 -0.307998 -1.169821
C -5.039844 0.005450 0.551912
C 4.938715 -0.807095 1.120512
C -7.283406 -0.981996 0.605626
C 6.893092 -1.531048 -0.173135
C -7.912918 -2.351434 0.373445
C 7.203210 -1.959773 -1.603556
H -3.164861 1.811046 0.075069
H 3.377572 -0.228061 -1.083133
H -3.435345 -1.242167 -0.191751
H -3.098711 -0.415637 1.354594
H 3.142751 -0.045998 1.986519
H 2.918589 -1.536034 1.022527
H -1.079958 2.203871 1.219772
H 1.418178 1.956222 1.316346
H -1.256186 -0.749745 -1.950321
H 1.243583 -1.001441 -1.851579
H -3.045190 1.538016 -2.292141
H 3.465577 2.165190 -0.744361
H -7.642751 -0.220453 -0.109499
H -7.455024 -0.601656 1.629033
H 7.137286 -2.314336 0.567333
H 7.422409 -0.606127 0.118226
H -7.704320 -2.711106 -0.648475
H -7.520964 -3.093173 1.090264
H -9.008666 -2.286735 0.503544
H 6.643632 -2.871910 -1.873405
H 6.938579 -1.162958 -2.319686
H 8.283184 -2.172563 -1.704523


