%chk=000163753.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163753

0 1
 O   -3.321400       1.374100     -0.5083000    
 O   -5.087200       2.386700      0.5841000    
 C   0.9459000      0.2844000      0.1370000    
 C   0.9310000      -1.122000     -4.8000002E-03
 C  -0.2907000      -1.830000      9.5600002E-02
 C  -0.2574000      0.9818000      0.3788000    
 C    2.167700      0.9924000      3.6499999E-02
 C   -1.494000      -1.129900      0.3377000    
 C   -1.461200      0.2663000      0.4760000    
 C    2.134300      -1.819500     -0.2466000    
 C    3.370900      0.2923000     -0.2057000    
 C  -0.3062000      -3.237400     -4.6300001E-02
 C    2.183200       2.399600      0.1783000    
 C    3.338100      -1.104000     -0.3439000    
 C  -0.2237000       2.376100      0.5167000    
 C    2.100700      -3.213800     -0.3846000    
 C   0.9801000       3.076000      0.4179000    
 C   0.8968000      -3.913700     -0.2859000    
 C   -2.742900       1.011600      0.7344000    
 C   -2.696100      -1.846400      0.4345000    
 C   -1.524200      -3.924800      5.5799998E-02
 C    4.573100       1.008700     -0.3026000    
 C    3.401100       3.087200      7.6099999E-02
 C   -2.710000      -3.233100      0.2946000    
 C    4.586900       2.395500     -0.1627000    
 C   -4.502200       2.063900     -0.4408000    
 C   -4.992700       2.378300      -1.821600    
 H    4.266500      -1.643900     -0.5306000    
 H   -1.107100       2.985300      0.6739000    
 H    3.015300      -3.773000     -0.5714000    
 H   0.9667000       4.158900      0.5241000    
 H   0.9105000      -4.995900     -0.3987000    
 H   -3.451800      0.4287000       1.331400    
 H   -2.592600       1.897300       1.360200    
 H   -3.663000      -1.380100      0.5891000    
 H   -1.560400      -5.006800     -5.1500000E-02
 H    5.512200      0.4917000     -0.4886000    
 H    3.437100       4.169400      0.1819000    
 H   -3.648200      -3.776200      0.3650000    
 H    5.524700       2.938300     -0.2399000    
 H   -5.936100       2.927600      -1.755400    
 H   -4.261300       3.002700      -2.340800    
 H   -5.167400       1.450700      -2.372300    


%chk=000163753-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163753

0 1
O -3.334680 1.926511 -0.205953
O -5.213944 0.540250 -0.067531
C 0.969451 0.356181 0.157526
C 0.897894 -1.069168 0.022544
C -0.362785 -1.738710 0.136514
C -0.240108 1.115316 0.434957
C 2.232834 1.023043 0.026677
C -1.571154 -0.983243 0.409586
C -1.484683 0.449215 0.590067
C 2.110861 -1.829146 -0.241525
C 3.435160 0.259072 -0.232076
C -0.425333 -3.176049 -0.019240
C 2.319100 2.458068 0.151888
C 3.340038 -1.159454 -0.359478
C -0.116730 2.561109 0.533747
C 2.013264 -3.269339 -0.381205
C 1.099648 3.198678 0.399482
C 0.798430 -3.911982 -0.276424
C -2.709855 1.239761 0.989757
C -2.811932 -1.700006 0.480792
C -1.672260 -3.834733 0.080318
C 4.683752 0.947414 -0.353458
C 3.575090 3.098292 0.021843
C -2.853817 -3.093504 0.319702
C 4.749455 2.343666 -0.227670
C -4.580482 1.459302 -0.637812
C -5.020081 2.208815 -1.876702
H 4.251110 -1.737494 -0.557704
H -1.016635 3.163210 0.682787
H 2.931037 -3.836093 -0.575960
H 1.159984 4.291265 0.469573
H 0.731964 -5.000717 -0.386446
H -3.482024 0.616657 1.464521
H -2.456608 2.070955 1.664309
H -3.752279 -1.161907 0.629665
H -1.716976 -4.923671 -0.037357
H 5.592983 0.366600 -0.547063
H 3.633506 4.188937 0.115302
H -3.817789 -3.610401 0.375065
H 5.712659 2.856133 -0.323877
H -6.078601 1.994577 -2.083344
H -4.865024 3.292748 -1.750680
H -4.409439 1.884839 -2.738515


