%chk=000001451.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001451

0 1
 O    5.862500      -1.166600     -0.5257000    
 O   -4.769700      0.2641000      0.5365000    
 C    3.701900     -1.0300000E-02 -0.5536000    
 C    3.092700      -1.096100      0.3752000    
 C    1.554600      -1.131900      0.5109000    
 C    5.185300      6.0000001E-03 -5.9799999E-02
 C   0.9217000      0.2713000      0.6586000    
 C    2.990200       1.350800     -0.3422000    
 C    3.775700     -0.8518000       1.739800    
 C    1.465800       1.259200     -0.3874000    
 C    5.075800     -9.1499999E-02   1.465100    
 C   0.8848000      -1.899600     -0.6397000    
 C    3.629000     -0.4082000      -2.041800    
 C  -0.5987000      0.2353000      0.6178000    
 C  -0.5953000      -2.123400     -0.3404000    
 C   -1.303200     -0.8753000      0.1174000    
 C    5.943800       1.191200     -0.4837000    
 C   -1.322600       1.346600       1.085300    
 C   -2.707300     -0.8545000      0.1018000    
 C   -2.716800       1.358400       1.055400    
 C   -3.409200      0.2580000      0.5626000    
 C    6.563100       2.159300     -0.8302000    
 C   -5.393500      0.1231000     -0.7339000    
 C   -6.316000       1.307300     -0.9783000    
 C   -6.349200      -1.060400     -0.7264000    
 C   -7.580300      0.9782000     -0.1858000    
 C   -7.585300     -0.5391000      2.3000001E-03
 H    3.427500      -2.087000      3.5300002E-02
 H    1.326800      -1.699000       1.426800    
 H    1.199800      0.6480000       1.653000    
 H    3.318700       2.068800      -1.104300    
 H    3.268700       1.788900      0.6241000    
 H    3.979300      -1.807200       2.237100    
 H    3.150200     -0.2679000       2.423200    
 H    1.060800       2.262600     -0.2033000    
 H    1.127200      0.9871000      -1.393600    
 H    5.021300      0.8967000       1.938500    
 H    5.928900     -0.6190000       1.907400    
 H    1.368100      -2.872400     -0.7881000    
 H   0.9736000      -1.354200      -1.583100    
 H    3.933600      -1.447800      -2.203100    
 H    2.623200     -0.3043000      -2.453600    
 H    4.280200      0.2297000      -2.650000    
 H  -0.6961000      -2.881300      0.4468000    
 H   -1.079300      -2.518100      -1.241900    
 H    6.056400      -1.058100      -1.472200    
 H  -0.7988000       2.214500       1.479300    
 H   -3.249600      -1.724400     -0.2631000    
 H   -3.255400       2.228800       1.420100    
 H    7.111900       3.018400      -1.137800    
 H   -4.659700      3.8400002E-02  -1.545000    
 H   -6.564300       1.377800      -2.043900    
 H   -5.884500       2.260400     -0.6576000    
 H   -5.937300      -1.941300     -0.2248000    
 H   -6.618400      -1.335000      -1.753100    
 H   -8.476600       1.325300     -0.7100000    
 H   -7.560500       1.474100      0.7915000    
 H   -7.527200     -0.7798000       1.070200    
 H   -8.500700     -0.9960000     -0.3867000    


%chk=000001451-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000001451

0 1
O 5.877911 -1.418201 -0.227674
O -4.800654 1.026906 -0.316474
C 3.776010 -0.038602 -0.428403
C 2.987537 -1.133599 0.368979
C 1.437217 -1.069392 0.284613
C 5.211229 -0.162194 0.232099
C 0.888098 0.372542 0.497877
C 3.166758 1.367668 -0.147280
C 3.515277 -1.013624 1.833404
C 1.642205 1.402347 -0.394789
C 4.944557 -0.403637 1.744937
C 0.845242 -1.682219 -1.009101
C 3.863635 -0.287625 -1.953277
C -0.624753 0.457545 0.280498
C -0.684342 -1.832272 -0.877797
C -1.361627 -0.552199 -0.393909
C 6.096779 0.978859 -0.060790
C -1.326326 1.601831 0.748237
C -2.758411 -0.396089 -0.597328
C -2.707032 1.762846 0.552228
C -3.432906 0.757980 -0.136056
C 6.856770 1.907602 -0.343410
C -5.650292 0.014430 -0.996030
C -6.993813 0.711095 -1.274052
C -6.022380 -1.133814 -0.029394
C -7.783390 0.632219 0.067160
C -7.123508 -0.528045 0.888931
H 3.316152 -2.117498 -0.022411
H 1.052533 -1.694946 1.121493
H 1.091837 0.666122 1.550203
H 3.673792 2.120984 -0.780333
H 3.361167 1.662076 0.903964
H 3.520309 -2.001498 2.326072
H 2.854175 -0.359406 2.431502
H 1.256676 2.417861 -0.181977
H 1.412853 1.209376 -1.460564
H 5.025125 0.541846 2.307176
H 5.725612 -1.084733 2.120775
H 1.302806 -2.673127 -1.197227
H 1.079864 -1.049149 -1.884882
H 4.047118 -1.352966 -2.181257
H 2.932107 0.001645 -2.467138
H 4.676926 0.318718 -2.399422
H -0.903076 -2.647786 -0.155880
H -1.126581 -2.148356 -1.842633
H 6.156253 -1.293795 -1.171785
H -0.771874 2.383370 1.283761
H -3.301690 -1.192358 -1.117443
H -3.241284 2.647463 0.911772
H 7.520795 2.720829 -0.570735
H -5.139845 -0.322823 -1.919441
H -7.518759 0.154958 -2.073872
H -6.839012 1.745127 -1.625329
H -5.152266 -1.509648 0.535450
H -6.425515 -1.976610 -0.624939
H -8.858589 0.452347 -0.110972
H -7.696500 1.584869 0.616974
H -6.664700 -0.125279 1.808518
H -7.858598 -1.293168 1.195281


