%chk=000045058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045058

0 1
 O   -1.482000      0.3836000      -1.160100    
 O  -0.4370000      -2.111400     -0.3136000    
 O    3.656600      0.2074000     -6.2899999E-02
 O    2.120200      -1.972400      0.7834000    
 O   -2.610700      -2.399200      0.3909000    
 C   -2.123900     -0.8560000      -1.426800    
 C   -3.631000     -0.6116000      -1.481000    
 C   -1.607600      -1.377200      -2.764400    
 C   -1.780000      -1.865800     -0.3351000    
 C    3.623400       2.421700     -0.9731000    
 C    4.167000       1.519800      0.1260000    
 C    2.099500       2.494500     -0.9401000    
 C   3.0000001E-04  -3.076500      0.6484000    
 C    4.131100     -0.6853000      0.9377000    
 C    1.505200      -3.232500      0.5439000    
 C    3.535700      -2.059300      0.6978000    
 C   -1.798700       1.002300      2.1100000E-02
 C    1.563100       3.429900      -2.011700    
 C   -1.057300      0.7317000       1.171300    
 C   -2.863100       1.902500      7.3299997E-02
 C   -1.380400       1.360900       2.373600    
 C   -3.186000       2.531800       1.275600    
 C   -2.444500       2.260900       2.425700    
 H   -3.879600      0.2187000      -2.151200    
 H   -4.149000      -1.503000      -1.855700    
 H   -4.071500     -0.4017000     -0.5007000    
 H   -1.888000     -0.6985000      -3.578200    
 H  -0.5129000      -1.433100      -2.780400    
 H   -2.003600      -2.372700      -2.991600    
 H    3.938600       2.033600      -1.949400    
 H    4.050100       3.424900     -0.8612000    
 H    5.261700       1.500100      7.4199997E-02
 H    3.867400       1.899500       1.109900    
 H    1.763800       2.846500      4.2500000E-02
 H    1.665200       1.499600      -1.092100    
 H  -0.2654000      -2.716100       1.649000    
 H  -0.4906000      -4.037100      0.4581000    
 H    3.819500     -0.3147000       1.921200    
 H    5.224600     -0.7398000      0.8994000    
 H    1.770700      -3.569300     -0.4650000    
 H    1.857100      -3.966700       1.276700    
 H    3.811400      -2.410800     -0.3033000    
 H    3.911500      -2.764900       1.446800    
 H    1.852700       3.089100      -3.010800    
 H   0.4699000       3.466400      -1.969200    
 H    1.942600       4.446900      -1.871200    
 H  -0.2076000      5.7000000E-02   1.142700    
 H   -3.434700       2.142200     -0.8186000    
 H  -0.7986000       1.155500       3.267400    
 H   -4.010900       3.237100       1.315000    
 H   -2.694200       2.753200       3.361100    


%chk=000045058-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045058

0 1
O -1.388716 0.419478 -1.180746
O -0.508398 -2.298007 -0.590826
O 3.417965 0.418690 0.239188
O 1.876049 -2.036468 1.104489
O -2.667716 -2.504688 0.242089
C -2.192454 -0.806501 -1.524036
C -3.699663 -0.507409 -1.464549
C -1.714688 -1.154473 -2.943587
C -1.852792 -1.948772 -0.529432
C 3.211926 2.580899 -0.845692
C 3.423461 1.868614 0.494486
C 1.824431 2.311897 -1.471169
C -0.046735 -3.310100 0.398540
C 3.607027 -0.374024 1.450867
C 1.471099 -3.261996 0.416561
C 3.331093 -1.830028 1.100962
C -1.448730 0.915208 0.155765
C 1.647995 3.000838 -2.840080
C -0.469356 0.500208 1.089076
C -2.405825 1.900250 0.495858
C -0.474976 1.065450 2.384765
C -2.396281 2.460619 1.793489
C -1.436086 2.039977 2.743635
H -3.929282 0.329810 -2.145632
H -4.278077 -1.394070 -1.776817
H -4.016895 -0.248582 -0.441398
H -1.933584 -0.305465 -3.613518
H -0.629456 -1.338926 -2.942185
H -2.236478 -2.050599 -3.323868
H 4.009388 2.258996 -1.544980
H 3.345470 3.671025 -0.685042
H 4.395692 2.163959 0.951710
H 2.607627 2.122426 1.208777
H 1.035871 2.661741 -0.775235
H 1.677815 1.221534 -1.574747
H -0.470498 -3.070094 1.389125
H -0.413782 -4.304021 0.082544
H 2.912189 -0.048613 2.256844
H 4.650255 -0.264273 1.826760
H 1.868945 -3.274928 -0.620689
H 1.854438 -4.159517 0.953844
H 3.753783 -2.043524 0.096466
H 3.806107 -2.508375 1.843647
H 2.400918 2.640756 -3.567520
H 0.646208 2.793456 -3.258521
H 1.761381 4.099330 -2.756728
H 0.292973 -0.230316 0.796769
H -3.129092 2.229144 -0.257379
H 0.277138 0.742035 3.114065
H -3.134851 3.225455 2.059406
H -1.432731 2.473675 3.749949


