%chk=000009691.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009691

0 1
 O   -2.452100       2.505100       1.394800    
 O   -2.845100       1.264000      -3.119200    
 O    2.339400       2.046500       3.193800    
 O   -3.396400     -0.7861000       1.597700    
 O   -3.862100      -2.960200       1.144900    
 C  -0.8714000       1.611100     -0.2076000    
 C  -0.8594000       1.459200      -1.736400    
 C   -2.004100       2.613000      5.2999999E-02
 C   -3.110300       2.200700     -0.9155000    
 C   -2.334200       1.595000      -2.056300    
 C  -0.2815000      0.1358000      -2.206000    
 C   0.4452000       2.066400      0.3355000    
 C    1.156200       1.380300       1.242200    
 C  -0.9264000      -1.117200      -1.675800    
 C    2.478700       1.842700       1.786400    
 C    3.601400      0.8169000       1.579100    
 C    3.799500      0.4268000      0.1114000    
 C  -0.3283000      -2.111000      -1.001500    
 C    4.865300     -0.6552000     -9.0899996E-02
 C   -1.051100      -3.325700     -0.4963000    
 C    5.115700     -0.9967000      -1.560300    
 C  -0.9818000      -3.494900       1.027700    
 C   -1.604700      -2.335300       1.811000    
 C    6.172700      -2.081500      -1.704800    
 C   -3.065300      -2.099700       1.493100    
 H   -1.149700      0.6663000      0.2776000    
 H  -0.3410000       2.298700      -2.216900    
 H   -1.683800       3.645300     -0.1348000    
 H   -3.779800       1.450400     -0.4848000    
 H   -3.684900       3.066800      -1.253100    
 H  -0.3521000      9.1100000E-02  -3.300900    
 H   0.7915000      0.1170000      -1.976200    
 H   0.8364000       3.009900     -3.8300000E-02
 H   0.7694000      0.4386000       1.624200    
 H   -3.219400       3.094300       1.493200    
 H   -1.991400      -1.214100      -1.879200    
 H    2.779700       2.799000       1.342600    
 H    3.388300     -8.2999997E-02   2.171900    
 H    4.536700       1.220100       1.988200    
 H    4.076500       1.320400     -0.4613000    
 H    2.860500      5.5000000E-02 -0.3142000    
 H   0.7367000      -2.046000     -0.7934000    
 H    4.559700      -1.561800      0.4462000    
 H    5.805300     -0.3196000      0.3647000    
 H   -2.095700      -3.325300     -0.8281000    
 H  -0.5897000      -4.206100     -0.9607000    
 H    1.661800       2.731700       3.326700    
 H    4.183300      -1.336000      -2.026000    
 H    5.441100     -9.9799998E-02  -2.099600    
 H   -1.492400      -4.428200       1.295400    
 H   6.4499997E-02  -3.607900       1.337500    
 H   -1.533300      -2.537900       2.885400    
 H   -1.043300      -1.416000       1.614600    
 H    7.126400      -1.759800      -1.274500    
 H    5.861100      -3.002300      -1.201500    
 H    6.337200      -2.311200      -2.762100    
 H   -4.337000     -0.6265000       1.369600    


%chk=000009691-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009691

0 1
O -2.158391 2.259470 1.670885
O -2.773962 0.958496 -2.996702
O 2.915237 1.939590 3.153929
O -4.848982 -0.821185 0.519575
O -4.926710 -3.133637 0.663444
C -0.660109 1.353910 -0.022695
C -0.759500 1.034759 -1.544691
C -1.825347 2.348634 0.242464
C -2.959607 1.892602 -0.702695
C -2.244914 1.259013 -1.900127
C -0.222700 -0.371238 -1.954441
C 0.693724 1.861787 0.402976
C 1.535973 1.225044 1.257369
C -1.070792 -1.507647 -1.417756
C 2.887113 1.755711 1.678315
C 4.056292 0.803141 1.368366
C 4.345407 0.653430 -0.140819
C -0.731598 -2.325441 -0.385620
C 5.528903 -0.296476 -0.432088
C -1.608823 -3.431527 0.165512
C 5.838544 -0.439458 -1.939745
C -2.127304 -3.150118 1.607151
C -3.040042 -1.907507 1.708524
C 7.021656 -1.389753 -2.224872
C -4.331370 -2.067755 0.930668
H -0.902935 0.432111 0.541637
H -0.183261 1.794010 -2.119271
H -1.508223 3.384498 -0.011077
H -3.549565 1.092555 -0.205620
H -3.660860 2.683281 -1.021926
H -0.199020 -0.417409 -3.059789
H 0.818971 -0.459659 -1.589789
H 1.011055 2.821512 -0.040830
H 1.236167 0.273551 1.723237
H -2.929511 2.850346 1.863034
H -2.044231 -1.651861 -1.912028
H 3.067920 2.734168 1.178051
H 3.837720 -0.185601 1.818152
H 4.952208 1.197979 1.886335
H 4.565206 1.651304 -0.575974
H 3.439018 0.280023 -0.660981
H 0.244642 -2.183191 0.108551
H 5.310440 -1.298402 -0.006823
H 6.434544 0.072125 0.093501
H -2.473442 -3.600423 -0.503551
H -1.037549 -4.381225 0.191760
H 2.090009 2.421750 3.419543
H 4.932953 -0.806912 -2.464803
H 6.057129 0.562647 -2.362338
H -2.683041 -4.038307 1.960935
H -1.267780 -3.005436 2.290115
H -3.319110 -1.730067 2.766981
H -2.527777 -0.991799 1.368808
H 7.946590 -1.028613 -1.736730
H 6.815256 -2.406166 -1.839397
H 7.222449 -1.474068 -3.308792
H -5.706168 -0.973466 0.034353


