%chk=000042994.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042994

0 1
 O    2.724200     -0.4130000     -0.3638000    
 O    5.693100       1.434300      0.7254000    
 O    6.743400      -1.164900      2.0700000E-02
 O    2.234100      -2.691200     -0.4803000    
 O    4.774000      -3.271500      0.6244000    
 O    1.580500       2.066200     -4.4599999E-02
 O    1.518000       4.118900      -1.084800    
 O   -2.917600       1.042700       1.504300    
 O   -3.416800       5.323100     -0.5848000    
 O   -6.176600      -2.256100      7.1999997E-02
 O   -4.523800       3.176100      0.7699000    
 C    4.962500      0.4342000      2.0300001E-02
 C    5.412800     -0.9482000      0.4929000    
 C    3.465300      0.6320000      0.2685000    
 C    4.495400      -2.044300     -4.9199998E-02
 C    3.023300      -1.698600      0.1749000    
 C    2.968800       1.957300     -0.3006000    
 C   0.8762000      -2.552800     -0.3883000    
 C   0.2580000      -2.558400      0.8621000    
 C   0.1101000      -2.406600      -1.544600    
 C   0.9714000       3.202100     -0.4912000    
 C   -1.892800      -2.271600     -0.2004000    
 C   -1.126500      -2.417900      0.9560000    
 C   -1.274500      -2.266100      -1.450700    
 C   -3.373000      -2.121500     -0.1006000    
 C  -0.4760000       3.194500     -0.1603000    
 C   -4.097600      -3.472200     -0.1413000    
 C   -1.281800       4.271100     -0.5307000    
 C   -1.029800       2.111800      0.5230000    
 C   -5.607700      -3.339300     -5.4000001E-02
 C   -2.389000       2.105800      0.8360000    
 C   -2.641000       4.265300     -0.2177000    
 C   -3.194600       3.182600      0.4658000    
 C   -6.392000      -4.623800     -0.1284000    
 H    5.192400      0.5520000      -1.045700    
 H    5.467100     -0.9885000       1.587100    
 H    3.238200      0.6189000       1.343300    
 H    4.690900      -2.216800      -1.114300    
 H    2.802900      -1.712200       1.250400    
 H    3.127800       1.981800      -1.385600    
 H    3.495400       2.798800      0.1635000    
 H    5.485100       1.347400       1.671400    
 H    6.725100      -1.152200     -0.9514000    
 H    4.606300      -3.139800       1.573100    
 H   0.8350000      -2.689000       1.773000    
 H   0.5866000      -2.401100      -2.521100    
 H   -1.597200      -2.428400       1.935600    
 H   -1.860600      -2.154300      -2.359100    
 H   -3.632200      -1.593200      0.8260000    
 H   -3.737600      -1.475400     -0.9103000    
 H   -3.861600      -3.995100      -1.075700    
 H   -3.767900      -4.101600      0.6936000    
 H  -0.8562000       5.118300      -1.063200    
 H  -0.4269000       1.258600      0.8232000    
 H   -6.103400      -5.277300      0.6985000    
 H   -7.461300      -4.408400     -5.1800001E-02
 H   -6.198500      -5.116200      -1.084500    
 H   -2.212100      0.3988000       1.686900    
 H   -2.864700       5.976800      -1.047300    
 H   -4.726900       2.348800       1.240300    


%chk=000042994-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042994

0 1
O 2.803718 -0.175669 -0.501212
O 5.884449 1.393956 0.853028
O 6.690571 -1.433540 0.445615
O 2.006194 -2.360197 -0.638581
O 4.386082 -3.275418 0.808191
O 1.817436 2.368483 0.008156
O 1.850400 4.564358 -0.790139
O -3.027588 0.973010 0.293787
O -3.298334 5.686228 -0.357877
O -6.343496 -3.131644 1.115447
O -4.471427 3.229057 0.078605
C 5.083401 0.439491 0.089289
C 5.286983 -0.991744 0.623248
C 3.596636 0.819493 0.251705
C 4.311948 -2.038056 0.035742
C 2.871747 -1.509337 0.124581
C 3.249361 2.193263 -0.301735
C 0.619367 -2.298471 -0.309528
C 0.150495 -2.823440 0.916587
C -0.277625 -1.774830 -1.261707
C 1.203726 3.569778 -0.375441
C -2.168268 -2.311810 0.238427
C -1.234886 -2.819181 1.183670
C -1.664509 -1.787823 -0.984100
C -3.665875 -2.399094 0.499213
C -0.268466 3.465910 -0.229389
C -4.247765 -3.752846 0.023927
C -1.055376 4.637614 -0.358753
C -0.885245 2.208585 -0.000432
C -5.734129 -3.928806 0.354167
C -2.282224 2.152814 0.089703
C -2.460191 4.569489 -0.248900
C -3.089150 3.316763 -0.021741
C -6.437808 -5.115364 -0.295392
H 5.348753 0.473870 -0.992913
H 5.172337 -0.976510 1.723188
H 3.329388 0.786044 1.330555
H 4.544608 -2.214159 -1.038468
H 2.547491 -1.440090 1.187996
H 3.394139 2.240461 -1.396797
H 3.856856 2.977200 0.181963
H 6.793758 1.011607 0.966082
H 6.886133 -1.497787 -0.526829
H 5.345223 -3.506512 0.919635
H 0.862051 -3.248319 1.633190
H 0.117254 -1.364639 -2.195415
H -1.601408 -3.227674 2.133223
H -2.364284 -1.402658 -1.736388
H -3.890238 -2.283289 1.574849
H -4.207552 -1.584282 -0.016430
H -4.100490 -3.889516 -1.066537
H -3.696958 -4.593057 0.497831
H -0.548549 5.591625 -0.548917
H -0.266876 1.310094 0.081994
H -5.790063 -6.010127 -0.320013
H -7.376321 -5.340871 0.234748
H -6.684065 -4.862881 -1.345734
H -2.454497 0.162632 0.290904
H -2.761080 6.502250 -0.515425
H -4.710060 2.276268 0.241345


