%chk=000051221.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051221

0 1
 O   0.7703000       2.362800     -0.5356000    
 O    2.764600       2.448100       2.708500    
 O    2.795400      -1.198100       1.889400    
 O    4.840300     -0.5151000     -0.8818000    
 O   -1.720400       2.170400      -1.022600    
 O   -2.030800      -2.546600       1.469700    
 O   -4.213700       2.128800      -1.600300    
 O   -6.715800      -1.624800     -0.1557000    
 O    4.743600      -2.206100      -2.452900    
 C    3.087900       1.306800      0.5944000    
 C    1.774700      0.5940000      0.6683000    
 C    3.589600       1.528600     -0.8573000    
 C  -0.5898000      0.4854000      0.1623000    
 C   0.6365000       1.156800      9.0099998E-02
 C    3.047600       2.667300       1.330700    
 C  -0.6717000     -0.7471000      0.8136000    
 C    1.693000     -0.6360000       1.318100    
 C   0.4728000      -1.308400       1.392400    
 C    3.858900      0.2227000      -1.599200    
 C   -1.789400       1.089000     -0.4530000    
 C   -3.076900      0.3696000     -0.3699000    
 C   -3.158900     -0.8628000      0.2815000    
 C   -1.959400      -1.466100      0.8974000    
 C   -4.221300      0.9304000     -0.9497000    
 C   -4.385200      -1.534500      0.3533000    
 C   -5.523000     -0.9722000     -0.2258000    
 C   -5.441300      0.2577000     -0.8758000    
 C    5.192800      -1.720000      -1.423800    
 C    6.229500      -2.380800     -0.5665000    
 H    3.856200      0.7227000       1.116300    
 H    2.911500       2.146400      -1.452000    
 H    4.537000       2.081900     -0.8018000    
 H    4.031900       3.145900       1.280400    
 H    2.323600       3.382400      0.9336000    
 H   0.4203000      -2.267400       1.902100    
 H    2.942300     -0.3688000      -1.701200    
 H    4.241000      0.4518000      -2.600900    
 H   -4.461700      -2.494600      0.8578000    
 H  -7.0500001E-02   2.654400     -0.9166000    
 H    1.832300       2.182600       2.781400    
 H    2.548300      -2.049000       2.290200    
 H   -6.331100      0.6920000      -1.325500    
 H   -3.325300       2.514900      -1.600700    
 H   -6.591400      -2.459100      0.3285000    
 H    5.826700      -2.551900      0.4351000    
 H    7.124800      -1.755900     -0.5202000    
 H    6.499700      -3.346500      -1.003000    


%chk=000051221-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000051221

0 1
O 0.671470 2.470250 -0.429238
O 2.926261 2.531795 2.680199
O 2.919708 -1.270003 1.590698
O 5.051902 -0.454709 -1.255695
O -1.792886 2.341333 -0.858018
O -1.984987 -2.787520 1.211218
O -4.282962 2.285471 -1.331580
O -6.812582 -1.611898 -0.220374
O 3.888279 -2.444076 -0.844663
C 3.182763 1.325030 0.488148
C 1.834275 0.618315 0.587174
C 3.612093 1.533274 -0.994404
C -0.625957 0.490948 0.148395
C 0.623992 1.202113 0.104943
C 3.209808 2.681537 1.247550
C -0.657575 -0.839150 0.674771
C 1.744466 -0.702555 1.100998
C 0.522330 -1.427970 1.146664
C 3.826681 0.232309 -1.776132
C -1.838443 1.110476 -0.355662
C -3.099529 0.396806 -0.314759
C -3.172201 -0.929909 0.217272
C -1.939986 -1.607893 0.736983
C -4.302000 1.017853 -0.811042
C -4.395225 -1.615679 0.258481
C -5.569781 -0.980253 -0.235800
C -5.531829 0.322364 -0.767089
C 4.948580 -1.772859 -0.813215
C 6.279183 -2.245945 -0.268821
H 3.926842 0.673157 0.977373
H 2.846741 2.132381 -1.522897
H 4.554152 2.114981 -1.013232
H 4.235800 3.086091 1.214323
H 2.517250 3.403949 0.775217
H 0.476637 -2.445464 1.550635
H 2.972862 -0.463770 -1.700374
H 4.040058 0.441989 -2.838503
H -4.410810 -2.630730 0.672983
H -0.298725 2.717632 -0.723076
H 1.998792 2.199731 2.787588
H 2.899664 -2.257539 1.522086
H -6.440974 0.796110 -1.142871
H -3.308734 2.626482 -1.278384
H -6.753532 -2.521220 0.166445
H 6.424420 -1.831095 0.745662
H 7.109714 -1.886308 -0.896545
H 6.289498 -3.344233 -0.210133


