%chk=000021530.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021530

0 1
 O    4.934200      0.7624000     -0.2302000    
 O  -2.3700001E-02   2.644200      0.8102000    
 O   -5.268700     -0.2099000      -1.731400    
 C    2.506400      0.3889000      6.4999998E-02
 C    1.668400     -0.8891000     -0.1767000    
 C   0.3292000     -0.8806000      0.5783000    
 C  -0.5134000      0.3504000      9.3099996E-02
 C    3.811700      2.3200000E-02 -0.7054000    
 C    2.653200      -2.019400      0.1047000    
 C   -1.935300      0.3961000      0.7480000    
 C    1.708600       1.590700     -0.4555000    
 C    4.014800      -1.476800     -0.3669000    
 C  -0.4332000      -2.204400      0.3877000    
 C   0.3464000       1.625900      0.2301000    
 C    2.836100      0.6408000       1.566400    
 C   -2.574600     -0.9725000      0.4609000    
 C   -1.830000      -2.165300       1.007400    
 C   -2.835200       1.532600      0.1790000    
 C    3.762100      0.2287000      -2.224600    
 C   -1.861700      0.6283000       2.278700    
 C   -3.427800       1.225300      -1.184700    
 C   -3.644700      -1.168400     -0.3272000    
 C   -4.222700     -5.0900001E-02  -1.106800    
 H    1.417800     -0.9552000      -1.246300    
 H   0.5348000     -0.7829000       1.649700    
 H  -0.6630000      0.2406000     -0.9923000    
 H    2.385300      -2.936000     -0.4311000    
 H    2.690700      -2.262000       1.172700    
 H    1.519000       1.535200      -1.532700    
 H    2.238600       2.529700     -0.2613000    
 H    4.766700      -1.632300      0.4157000    
 H    4.360900      -2.040900      -1.241000    
 H   0.1295000      -3.030200      0.8385000    
 H  -0.5181000      -2.429700     -0.6839000    
 H    3.435000       1.551600       1.684000    
 H    1.939000      0.7853000       2.175900    
 H    3.397700     -0.1826000       2.018300    
 H   -1.769300      -2.115500       2.099700    
 H   -2.346800      -3.104500      0.7749000    
 H   -2.301000       2.485200      0.1260000    
 H   -3.673600       1.705100      0.8703000    
 H    4.701800     -0.1005000      -2.684500    
 H    2.944700     -0.3168000      -2.703500    
 H    3.667500       1.292000      -2.471300    
 H   -1.554400       1.651500       2.517500    
 H   -2.843000      0.4734000       2.744200    
 H   -1.161700     -4.1600000E-02   2.784800    
 H    5.173700      0.4491000      0.6574000    
 H   -2.657400       1.121800      -1.955000    
 H   -4.100600       2.038100      -1.479500    
 H   -4.056200      -2.155500     -0.5080000    


%chk=000021530-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021530

0 1
O 4.976436 0.863106 -0.345741
O -0.014018 2.630701 0.907628
O -5.205476 -0.177145 -1.973222
C 2.498700 0.377580 0.046042
C 1.668909 -0.928007 -0.145641
C 0.325096 -0.915848 0.612990
C -0.521663 0.331074 0.133593
C 3.829499 0.016558 -0.733254
C 2.684291 -2.061936 0.151783
C -1.956139 0.387864 0.793485
C 1.670935 1.573792 -0.499080
C 4.053612 -1.496412 -0.350942
C -0.459976 -2.234341 0.407447
C 0.330867 1.616794 0.242711
C 2.844491 0.656584 1.535166
C -2.596064 -0.972413 0.468068
C -1.885869 -2.183972 1.032361
C -2.838006 1.546407 0.229940
C 3.747674 0.224852 -2.254425
C -1.870846 0.590990 2.338553
C -3.403746 1.291125 -1.181755
C -3.649051 -1.115821 -0.400408
C -4.194089 -0.014988 -1.223989
H 1.414319 -0.990319 -1.227481
H 0.527967 -0.807809 1.697232
H -0.668647 0.174723 -0.960653
H 2.414454 -3.004234 -0.355303
H 2.716854 -2.276500 1.237111
H 1.478742 1.431501 -1.580331
H 2.192160 2.536053 -0.355814
H 4.830812 -1.574372 0.432693
H 4.433293 -2.056843 -1.222784
H 0.108082 -3.075386 0.848443
H -0.555579 -2.437259 -0.679095
H 3.420694 1.595610 1.616959
H 1.940179 0.790781 2.153510
H 3.434862 -0.159752 1.991098
H -1.798070 -2.127646 2.134078
H -2.435767 -3.110591 0.788984
H -2.267675 2.488672 0.261738
H -3.693537 1.671906 0.923075
H 4.688538 -0.118601 -2.716878
H 2.913656 -0.340921 -2.705245
H 3.627844 1.295153 -2.493173
H -1.541504 1.620979 2.551813
H -2.866812 0.438345 2.793052
H -1.168039 -0.100647 2.833393
H 5.214263 0.672152 0.596507
H -2.586846 1.219317 -1.930146
H -4.059622 2.116561 -1.508856
H -4.092491 -2.104821 -0.575936


