%chk=000004954.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004954

0 1
 O    1.415900      -4.473900      0.7012000    
 O   -3.670900      0.9628000      -2.174300    
 O    8.459500       3.043300     -0.9460000    
 O    7.624000       2.926200       1.161700    
 C   0.2295000      -2.421800      0.4615000    
 C    1.261400      -1.550400       1.072200    
 C  -0.9776000      -2.166700     -5.9500001E-02
 C    2.276300      -1.043600      4.0899999E-02
 C   -1.707600      -3.369900     -0.5798000    
 C  -0.7672000      -4.538800     -0.3212000    
 C    3.313700     -0.1196000      0.6835000    
 C   0.4147000      -3.881100      0.3267000    
 C    4.345400      0.4240000     -0.3098000    
 C   -1.608300     -0.8813000     -0.1570000    
 C   -4.836600      0.6654000     -6.7500003E-02
 C   -3.485100      0.6536000     -0.7940000    
 C    5.422100       1.293900      0.3484000    
 C   -5.534200       2.026200     -0.1729000    
 C   -2.823100     -0.6927000     -0.6916000    
 C   -6.894400       2.008700      0.5278000    
 C    6.477900       1.770100     -0.6511000    
 C   -7.577800       3.373600      0.4489000    
 C   -8.914600       3.369700       1.172900    
 C    7.557100       2.622400     -2.1100000E-02
 H   0.7830000     -0.6940000       1.562800    
 H    1.781900      -2.093000       1.871100    
 H    1.756100     -0.5016000     -0.7589000    
 H    2.786800      -1.894000     -0.4283000    
 H   -2.655300      -3.532800     -5.3500000E-02
 H   -1.913900      -3.290700      -1.653500    
 H  -0.4625000      -5.024100      -1.252700    
 H   -1.211000      -5.269200      0.3611000    
 H    3.835800     -0.6663000       1.478600    
 H    2.802200      0.7242000       1.163000    
 H    3.830500       1.007300      -1.083100    
 H    4.828700     -0.4196000     -0.8181000    
 H   -1.061800     -2.4100000E-02  0.2261000    
 H   -5.497300     -9.5399998E-02 -0.5040000    
 H   -4.693800      0.4057000      0.9889000    
 H   -2.840800       1.435400     -0.3755000    
 H    5.911300      0.7254000       1.149200    
 H    4.949600       2.161200      0.8261000    
 H   -4.896900       2.797700      0.2761000    
 H   -5.676800       2.296400      -1.225800    
 H   -3.400700      -1.521200      -1.092800    
 H   -6.760800       1.725800       1.579100    
 H   -7.536800       1.248100      6.7599997E-02
 H    6.963000      0.9026000      -1.112500    
 H    5.995100       2.363500      -1.435700    
 H   -7.736100       3.650700     -0.5999000    
 H   -6.932200       4.140100      0.8932000    
 H   -4.302800      0.3229000      -2.544900    
 H   -8.786100       3.129300       2.233100    
 H   -9.596300       2.634500      0.7337000    
 H   -9.386400       4.354800       1.102900    
 H    9.157600       3.604700     -0.5461000    


%chk=000004954-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004954

0 1
O 1.605043 -4.688456 0.724779
O -3.377303 1.159250 -2.026049
O 8.241555 3.306351 -1.118607
O 7.406451 3.254034 1.046228
C 0.263252 -2.649821 0.510816
C 1.272427 -1.716393 1.127539
C -0.985403 -2.361905 -0.015465
C 2.266737 -1.141854 0.076504
C -1.665952 -3.610381 -0.582131
C -0.656681 -4.761245 -0.337553
C 3.312843 -0.198813 0.708982
C 0.549773 -4.098493 0.352855
C 4.313687 0.369501 -0.322186
C -1.598615 -1.041303 -0.047138
C -4.871072 0.669276 -0.079834
C -3.427957 0.628992 -0.631969
C 5.340020 1.334527 0.310563
C -5.446263 2.099641 0.007535
C -2.823044 -0.754336 -0.587261
C -6.928501 2.130253 0.442650
C 6.336594 1.884813 -0.727106
C -7.496011 3.563880 0.552398
C -8.981050 3.594490 0.973601
C 7.337778 2.858217 -0.137652
H 0.773886 -0.878927 1.652870
H 1.854197 -2.282806 1.879852
H 1.698728 -0.599867 -0.706806
H 2.779748 -1.985346 -0.425535
H -2.633902 -3.792921 -0.077706
H -1.891021 -3.477397 -1.657622
H -0.324653 -5.249976 -1.271031
H -1.060771 -5.557273 0.313300
H 3.869099 -0.745618 1.497958
H 2.793957 0.641037 1.217123
H 3.753419 0.896497 -1.122957
H 4.845412 -0.471368 -0.814326
H -1.022102 -0.217585 0.397135
H -5.521166 0.038308 -0.725064
H -4.880235 0.200485 0.925006
H -2.792145 1.342321 -0.077307
H 5.896326 0.817014 1.115570
H 4.813816 2.178139 0.796962
H -4.840904 2.690220 0.726285
H -5.333034 2.595849 -0.976256
H -3.422235 -1.556584 -1.047471
H -7.042506 1.616874 1.420685
H -7.538219 1.552552 -0.283847
H 6.903658 1.065441 -1.210926
H 5.807341 2.404138 -1.550700
H -7.375742 4.077277 -0.423329
H -6.891211 4.139721 1.282318
H -3.959950 0.591064 -2.595099
H -9.123981 3.118418 1.962161
H -9.611299 3.049525 0.245455
H -9.361535 4.630302 1.040291
H 8.882113 3.944660 -0.701289


