%chk=000103978.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103978

0 1
 O   -4.661700       1.135800     -0.5908000    
 O   -6.312700      0.1974000      0.7223000    
 C    1.423800     -0.9359000      0.5141000    
 C    2.622400     -0.5741000     -0.3653000    
 C   0.1488000      -1.080500     -0.3197000    
 C    3.934900     -0.4477000      0.4145000    
 C   -1.044900      -1.474600      0.5532000    
 C    5.154300     -4.1000000E-03 -0.4011000    
 C   -2.310800      -1.651300     -0.2873000    
 C    6.444700      4.9800001E-02  0.4204000    
 C   -3.532500      -2.077500      0.5323000    
 C    7.662100      0.5004000     -0.3930000    
 C   -4.828000      -2.292400     -0.2592000    
 C    8.965400      0.4834000      0.4069000    
 C   -5.302900      -1.081700      -1.057600    
 C    10.14070      0.9495000     -0.4390000    
 C   -5.503600      0.1390000     -0.1947000    
 C   -4.755800       2.353600      0.1550000    
 C   -3.813400       2.284700       1.346900    
 C   -4.430600       3.526200     -0.7577000    
 H    1.280800     -0.1620000       1.277600    
 H    1.628800      -1.876100       1.040200    
 H    2.746700      -1.333900      -1.146600    
 H    2.419800      0.3750000     -0.8768000    
 H  -6.5700002E-02 -0.1348000     -0.8320000    
 H   0.3025000      -1.841100      -1.094900    
 H    4.156000      -1.415500      0.8825000    
 H    3.788900      0.2657000       1.235600    
 H  -0.8232000      -2.410500       1.080000    
 H   -1.215500     -0.7055000       1.316100    
 H    5.291300     -0.6947000      -1.242100    
 H    4.956000      0.9848000     -0.8321000    
 H   -2.520500     -0.7066000     -0.8008000    
 H   -2.128800      -2.401900      -1.066400    
 H    6.306700      0.7319000       1.268300    
 H    6.641900     -0.9436000      0.8418000    
 H   -3.296000      -3.014800       1.051900    
 H   -3.709400      -1.333900       1.319300    
 H    7.769600     -0.1529000      -1.267900    
 H    7.481600       1.512900     -0.7748000    
 H   -5.614300      -2.589200      0.4462000    
 H   -4.691200      -3.134900     -0.9478000    
 H    9.162700     -0.5304000      0.7737000    
 H    8.870600       1.133900       1.283800    
 H   -6.259500      -1.300900      -1.545800    
 H   -4.596600     -0.8569000      -1.864700    
 H    10.28000      0.3000000      -1.309100    
 H    11.06270      0.9300000      0.1506000    
 H    9.986500       1.973100     -0.7948000    
 H   -5.781200       2.504900      0.5156000    
 H   -2.782600       2.109500       1.019100    
 H   -3.842800       3.209400       1.931300    
 H   -4.077800       1.451000       2.005900    
 H   -3.421700       3.429000      -1.173800    
 H   -4.500100       4.479200     -0.2246000    
 H   -5.120200       3.549500      -1.608400    


%chk=000103978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103978

0 1
O -5.553718 1.466237 -0.540687
O -5.957356 -0.052122 1.186619
C 1.801814 -1.067515 0.443884
C 3.048243 -0.697845 -0.391515
C 0.503643 -1.144299 -0.391092
C 4.345131 -0.618871 0.445177
C -0.739810 -1.523504 0.444444
C 5.593270 -0.254486 -0.390030
C -2.040759 -1.595868 -0.387270
C 6.889458 -0.174519 0.447893
C -3.273765 -1.986846 0.460329
C 8.138949 0.186103 -0.386963
C -4.584915 -2.148055 -0.347265
C 9.434547 0.267414 0.452563
C -5.101750 -0.846535 -1.000276
C 10.677978 0.625706 -0.390004
C -5.571358 0.184022 0.016913
C -6.048128 2.600532 0.325546
C -4.896209 3.073960 1.223407
C -6.554864 3.663777 -0.651531
H 1.670847 -0.322038 1.256153
H 1.973176 -2.043794 0.944271
H 3.180421 -1.444954 -1.202140
H 2.876611 0.277393 -0.893885
H 0.328463 -0.166014 -0.886335
H 0.636395 -1.885425 -1.207114
H 4.514564 -1.593068 0.950286
H 4.214000 0.130566 1.253815
H -0.565724 -2.503798 0.935951
H -0.870759 -0.785697 1.263600
H 5.725211 -1.004738 -1.197786
H 5.423908 0.719160 -0.896229
H -2.207287 -0.613400 -0.875037
H -1.910053 -2.333779 -1.207000
H 6.758290 0.577471 1.254223
H 7.057294 -1.147455 0.956043
H -3.060348 -2.947214 0.972580
H -3.427695 -1.239463 1.264226
H 8.272522 -0.566391 -1.192422
H 7.972586 1.158710 -0.896262
H -5.374313 -2.538824 0.322058
H -4.431547 -2.900637 -1.146538
H 9.599079 -0.703914 0.962556
H 9.300362 1.020519 1.255945
H -5.971713 -1.074942 -1.649496
H -4.348126 -0.378664 -1.657031
H 10.851086 -0.129146 -1.180345
H 11.590080 0.678437 0.232792
H 10.550368 1.606277 -0.886663
H -6.869164 2.197178 0.947551
H -4.041967 3.413886 0.611207
H -5.231017 3.918854 1.853075
H -4.561756 2.261136 1.889525
H -5.735702 4.016369 -1.302719
H -6.953535 4.529592 -0.092114
H -7.358764 3.260221 -1.290581


