%chk=000146605.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000146605

0 1
 O   -2.265900       2.046400      -1.301200    
 O  -0.8554000       3.806000      -1.920300    
 O   -3.549500      -2.488700       1.481100    
 O   -5.021600      -1.723200     -0.2657000    
 O    2.241700      -1.932100      -1.865300    
 O    4.323900      0.2325000       1.865300    
 O    4.465900      -1.534600     -0.2620000    
 C  -0.3534000       1.252900      0.8103000    
 C  -0.3545000       2.643300      0.1296000    
 C   -1.611200      0.4759000      0.4659000    
 C  -0.9189000       2.523800      -1.295000    
 C   0.9441000      0.5024000      0.5210000    
 C   -2.478600      0.9102000     -0.5624000    
 C   -1.147300       3.659700      0.9717000    
 C   -1.931600     -0.6835000       1.195800    
 C   -3.657200      0.2127000     -0.8530000    
 C    2.053500      0.7109000       1.331600    
 C    1.003100     -0.3817000     -0.5499000    
 C   -3.092600      -1.357700      0.8775000    
 C   -3.932200     -0.9211000     -0.1183000    
 C    2.188800      -1.067200     -0.8140000    
 C    3.239300      2.5599999E-02   1.067500    
 C    3.307000     -0.8636000     -5.2000000E-03
 C   -4.773300      -2.714000      0.7523000    
 C    1.889900      -3.289600      -1.605800    
 C    5.218500       1.276200       1.485200    
 C    5.067900      -1.321500      -1.536700    
 H  -0.3862000       1.408000       1.899400    
 H   0.6677000       3.041600      6.8999998E-02
 H  -0.3014000       1.847700      -1.898700    
 H  -0.7080000       3.753400       1.970900    
 H   -1.124800       4.653300      0.5124000    
 H   -2.195400       3.368500       1.093000    
 H   -1.288100      -1.039100       1.994200    
 H   -4.332300      0.5503000      -1.632200    
 H    2.005100       1.403900       2.167700    
 H   0.1532000     -0.5484000      -1.205100    
 H  -0.8038000       3.654100      -2.879200    
 H   -4.722300      -3.700400      0.2771000    
 H   -5.610000      -2.707300       1.460400    
 H    1.993700      -3.854100      -2.536500    
 H   0.8507000      -3.358000      -1.268500    
 H    2.557900      -3.725100     -0.8560000    
 H    6.032300       1.312200       2.214400    
 H    4.703400       2.242000       1.487600    
 H    5.643800       1.080100      0.4961000    
 H    4.780000      -2.120300      -2.225800    
 H    6.153400      -1.362200      -1.406900    
 H    4.811600     -0.3431000      -1.958100    


%chk=000146605-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000146605

0 1
O -2.252240 1.961078 -1.453069
O -0.968882 3.857761 -1.953282
O -3.807507 -2.355343 1.740017
O -5.173631 -1.753533 -0.138244
O 2.149833 -1.956229 -1.883819
O 4.448093 1.004053 1.363813
O 4.616665 -1.066584 -0.668280
C -0.447522 1.355536 0.830922
C -0.534067 2.775925 0.170950
C -1.702821 0.544458 0.513346
C -0.899577 2.586687 -1.305203
C 0.864320 0.643264 0.454437
C -2.528696 0.876306 -0.595352
C -1.529351 3.702449 0.900421
C -2.068943 -0.556447 1.343483
C -3.717651 0.156148 -0.905372
C 2.064216 1.040820 1.091880
C 0.917172 -0.382110 -0.518974
C -3.224196 -1.266476 1.030538
C -4.034099 -0.912037 -0.071746
C 2.150144 -0.973027 -0.865448
C 3.307447 0.468562 0.740699
C 3.365443 -0.530638 -0.272662
C -4.916079 -2.818951 0.869518
C 2.643759 -3.289411 -1.467162
C 5.407379 0.050843 1.964517
C 5.017440 -0.679726 -2.044621
H -0.420609 1.529221 1.925445
H 0.472021 3.234584 0.193350
H -0.190069 1.901361 -1.816383
H -1.177047 3.904447 1.928485
H -1.623147 4.661466 0.365019
H -2.532802 3.246727 0.964179
H -1.450533 -0.828966 2.203876
H -4.333879 0.447484 -1.757918
H 2.063457 1.812495 1.869927
H 0.009347 -0.755743 -1.001793
H -1.236036 3.732299 -2.899038
H -4.603858 -3.740708 0.341292
H -5.820273 -2.957023 1.481355
H 2.595735 -3.913472 -2.372554
H 1.983586 -3.709853 -0.684971
H 3.680851 -3.227258 -1.092174
H 6.207829 0.680386 2.382241
H 5.807182 -0.638668 1.203421
H 4.916481 -0.520033 2.776297
H 4.269178 -1.033148 -2.776411
H 5.987877 -1.169987 -2.217254
H 5.128961 0.418109 -2.112496


