%chk=000043414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043414

0 1
 O   0.2725000      0.9970000       1.152800    
 O    1.163300      -2.740500     -0.1442000    
 O   -2.872200      0.1678000     -0.1799000    
 O    3.686300       1.548800      -2.109700    
 O   -2.176200       1.629200       1.468300    
 O   -4.791300      -1.000500      -1.722300    
 C    2.010100     -0.7878000       1.032200    
 C    1.663500      0.7229000      0.9558000    
 C  -0.5901000      0.2538000      0.3012000    
 C  -0.4982000      -1.220100      0.6269000    
 C   0.9239000      -1.666300      0.4081000    
 C    3.319500      -1.108500      0.3550000    
 C    2.180300       1.416800     -0.2828000    
 C    3.193100      0.9037000     -0.9968000    
 C    3.849900     -0.3189000     -0.5916000    
 C   -1.950700      0.7793000      0.6175000    
 C   -4.228100      0.5801000      1.9700000E-02
 C   -5.155600     -0.1569000     -0.9100000    
 H    2.063100      -1.075800       2.089900    
 H    2.167600       1.218200       1.796800    
 H  -0.3609000      0.4761000     -0.7476000    
 H   -1.162700      -1.812200     -1.1100000E-02
 H  -0.7518000      -1.422200       1.674000    
 H    3.832500      -2.024200      0.6354000    
 H    1.728700       2.363500     -0.5654000    
 H    4.785000     -0.5870000      -1.071500    
 H    3.163600       2.356600      -2.253500    
 H   -4.325100       1.651000     -0.1863000    
 H   -4.536100      0.3606000       1.047200    
 H   -6.222000      0.1109000     -0.8179000    


%chk=000043414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043414

0 1
O 0.222743 0.890469 1.307005
O 1.187093 -2.616747 -0.676560
O -2.811789 0.889792 -0.559393
O 3.893113 1.616132 -1.925226
O -2.586503 0.870704 1.768793
O -4.272774 -1.429211 0.027081
C 1.951769 -0.902606 0.921946
C 1.648092 0.629999 1.008511
C -0.662811 0.311001 0.297238
C -0.560844 -1.242344 0.321428
C 0.884995 -1.673534 0.095314
C 3.346913 -1.168381 0.379742
C 2.122483 1.377361 -0.228644
C 3.255308 0.949671 -0.866894
C 3.941405 -0.294052 -0.478907
C -2.084953 0.727836 0.640657
C -4.264770 0.995063 -0.396136
C -4.907377 -0.367360 -0.141989
H 1.854640 -1.301821 1.953465
H 2.148799 1.038925 1.908403
H -0.405172 0.685622 -0.713632
H -1.213275 -1.704684 -0.437535
H -0.887704 -1.585569 1.322832
H 3.817780 -2.127262 0.615480
H 1.636908 2.336092 -0.453197
H 4.914524 -0.497193 -0.936272
H 3.410817 2.447898 -2.162246
H -4.648490 1.426444 -1.337102
H -4.522643 1.668450 0.446467
H -6.026378 -0.335294 -0.110431


