%chk=000001967.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001967

0 1
 O    3.497000       2.130700     -0.6757000    
 O    2.686500      -3.018300      0.3628000    
 O   -5.538100      -1.843100      -2.261700    
 C    1.062900       1.176400      -1.526100    
 C   0.1548000       1.920100     -0.5464000    
 C    2.026200      0.2833000     -0.8192000    
 C  -0.7999000       2.866800      -1.282000    
 C    1.811300      -1.011400     -0.5333000    
 C    3.313100      0.9369000     -0.4439000    
 C    4.368700      0.1257000      0.2277000    
 C    4.153600      -1.168900      0.5139000    
 C    2.868400      -1.823400      0.1354000    
 C   -1.701500       3.656500     -0.3313000    
 C   0.5377000      -1.761200     -0.8218000    
 C    5.641400      0.8760000      0.5178000    
 C    5.125000      -2.069300       1.229600    
 C   -2.592600       2.781400      0.4426000    
 C   -4.232000       1.174600       1.805100    
 C   -3.505500      1.1900000E-02   2.488900    
 C   -3.323600       2.060900       1.066300    
 C   -2.715700     -0.8873000       1.532900    
 C   -3.560400      -1.544400      0.5276000    
 C   -4.232900      -2.097400     -0.2998000    
 C   -5.044400      -2.776300      -1.309600    
 H   0.4499000      0.6042000      -2.232900    
 H    1.595500       1.895100      -2.162000    
 H  -0.4125000       1.193800      4.4799998E-02
 H   0.7614000       2.500800      0.1601000    
 H   -1.417200       2.289500      -1.982100    
 H  -0.2165000       3.577100      -1.880700    
 H   -2.304300       4.360900     -0.9162000    
 H   -1.086300       4.255100      0.3506000    
 H  -0.2764000      -1.120200      -1.168100    
 H   0.1742000      -2.258400      8.4500000E-02
 H   0.7132000      -2.523000      -1.588500    
 H    6.484300      0.2258000      0.7622000    
 H    5.489300       1.567700       1.352800    
 H    5.955300       1.455300     -0.3579000    
 H    5.933000      -1.529400       1.728200    
 H    5.571000      -2.778700      0.5251000    
 H    4.615800      -2.637600       2.016300    
 H   -4.756600       1.757200       2.571800    
 H   -5.004700      0.7921000       1.128400    
 H   -2.811400      0.4115000       3.239500    
 H   -4.245000     -0.5907000       3.031700    
 H   -2.208100      -1.658500       2.125400    
 H   -1.923700     -0.3183000       1.036500    
 H   -4.464800      -3.538400      -1.839500    
 H   -5.904100      -3.268800     -0.8458000    
 H   -4.772200      -1.462700      -2.725200    


%chk=000001967-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001967

0 1
O 3.739741 1.891186 -0.615893
O 1.126687 -2.858537 -0.544100
O -1.522583 -3.724164 -0.901452
C 1.105425 1.964932 -1.656939
C 0.109888 2.513962 -0.593362
C 1.743928 0.673655 -1.188184
C -0.727370 3.701211 -1.111045
C 1.089608 -0.542843 -1.200806
C 3.134283 0.768225 -0.632094
C 3.816340 -0.455812 -0.094569
C 3.152774 -1.663570 -0.083532
C 1.756625 -1.745316 -0.612915
C -1.818005 4.147239 -0.092046
C -0.304518 -0.751474 -1.739115
C 5.223953 -0.295915 0.427302
C 3.775015 -2.930169 0.455872
C -2.757477 3.061362 0.256229
C -4.394325 0.990919 0.884401
C -4.124912 0.433299 2.310817
C -3.510093 2.118672 0.527397
C -2.715669 -0.205575 2.465344
C -2.538185 -1.452634 1.695030
C -2.398018 -2.518577 1.082973
C -2.242225 -3.808488 0.370867
H 0.559624 1.801889 -2.605756
H 1.893001 2.715027 -1.842978
H -0.580322 1.705761 -0.286631
H 0.675086 2.815258 0.310988
H -1.222459 3.415490 -2.060147
H -0.072284 4.566917 -1.332976
H -2.379147 5.006871 -0.508838
H -1.325180 4.514057 0.831381
H -0.677065 0.132946 -2.276630
H -1.015637 -0.982351 -0.922952
H -0.342654 -1.624275 -2.414397
H 5.918787 -0.993114 -0.077779
H 5.276230 -0.524510 1.509442
H 5.574156 0.735804 0.272028
H 4.115372 -2.795198 1.499775
H 4.666442 -3.217267 -0.134533
H 3.051252 -3.758363 0.421758
H -5.451846 1.313573 0.815170
H -4.265697 0.171079 0.149651
H -4.221449 1.255225 3.045061
H -4.896667 -0.322301 2.549421
H -2.530362 -0.416666 3.537373
H -1.953378 0.537587 2.155788
H -1.758677 -4.540071 1.054635
H -3.239088 -4.204602 0.107690
H -0.579829 -3.418757 -0.747923


