%chk=000157557.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157557

0 1
 O  -0.1054000     -0.2540000      0.6272000    
 O    2.723100      -1.400800       1.383300    
 O   0.8068000      0.5465000      -1.396600    
 O   -2.072200      0.9002000      0.1336000    
 O   -1.525300      -2.696800      0.4690000    
 O   -4.380100      -2.353100       1.111600    
 O   -5.516500     -0.2006000     -0.4477000    
 O    4.388000      -2.532000     -0.8638000    
 O   -3.041400       3.175200      -1.066800    
 C    2.035500      0.8426000      0.7412000    
 C    2.941200     -0.3737000      0.4190000    
 C    2.900300       2.049900      0.3477000    
 C    4.385400      0.1593000      0.5623000    
 C    4.264300       1.645200      0.8990000    
 C   0.6847000      0.7683000      1.4700000E-02
 C    2.662200     -0.9225000     -0.9528000    
 C    2.414300       3.370200      0.9268000    
 C   -1.392300     -0.3474000      1.7100001E-02
 C    1.696100     -0.4379000      -1.741600    
 C   -2.172400      -1.451700      0.7305000    
 C   -3.618300      -1.517900      0.2382000    
 C   -4.263300     -0.1320000      0.2276000    
 C   -3.361600      0.8813000     -0.4814000    
 C    3.476600      -2.013100      -1.495700    
 C   -3.929500       2.294800     -0.4026000    
 H    1.841800      0.8638000       1.824100    
 H    2.964300       2.145000     -0.7439000    
 H    4.949700      6.8700001E-02 -0.3737000    
 H    4.954100     -0.3653000       1.338200    
 H    4.302400       1.780100       1.987200    
 H    5.079300       2.230700      0.4618000    
 H   0.1744000       1.728400      0.1471000    
 H    1.447000       3.654400      0.5016000    
 H    2.301600       3.314300       2.014800    
 H    3.125400       4.172500      0.7032000    
 H   -1.271500     -0.6108000      -1.041700    
 H    1.784000      -1.652100       1.347100    
 H    1.512500     -0.7565000      -2.759100    
 H   -2.146900      -1.303100       1.816600    
 H   -3.677600      -1.974600     -0.7575000    
 H   -4.457300      0.1768000       1.263100    
 H   -3.239800      0.6232000      -1.542300    
 H    3.224900      -2.352300      -2.514700    
 H   -4.022100       2.632900      0.6349000    
 H   -4.905700       2.372700     -0.8883000    
 H   -1.541700      -2.849400     -0.4912000    
 H   -3.946400      -3.223400       1.131400    
 H   -6.013300      0.6074000     -0.2362000    
 H   -2.173800       3.100500     -0.6335000    


%chk=000157557-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157557

0 1
O -0.162498 0.053810 0.357089
O 2.085276 -1.121381 1.754988
O 1.040750 0.416034 -1.679318
O -2.279499 1.066948 0.357680
O -1.411485 -2.515028 -0.433124
O -4.225414 -2.654677 0.248694
O -5.700674 -0.258468 -0.320656
O 4.403591 -2.738646 -0.095533
O -3.656044 3.523653 0.017447
C 2.005788 1.076486 0.528804
C 2.711897 -0.308202 0.696023
C 3.089478 2.059286 -0.022603
C 4.125019 0.113086 1.158904
C 4.460327 1.351744 0.290437
C 0.751096 0.974329 -0.327238
C 2.713924 -1.058317 -0.638427
C 2.969091 3.466572 0.600419
C -1.491645 -0.033851 -0.206995
C 1.928349 -0.653219 -1.690329
C -2.088334 -1.388459 0.216928
C -3.547327 -1.458187 -0.253090
C -4.359386 -0.258615 0.259470
C -3.682776 1.060518 -0.159150
C 3.567893 -2.235533 -0.895285
C -4.343612 2.303274 0.440300
H 1.689714 1.397389 1.540044
H 2.972085 2.153009 -1.120153
H 4.852860 -0.706473 1.070811
H 4.038479 0.384023 2.227481
H 5.155239 2.036033 0.809042
H 4.951461 1.041283 -0.649740
H 0.247434 1.930193 -0.546674
H 1.970536 3.911922 0.426311
H 3.135016 3.425722 1.693508
H 3.719985 4.153584 0.169816
H -1.447962 0.050458 -1.315646
H 1.103319 -1.069555 1.605845
H 1.936573 -1.141278 -2.671562
H -2.035225 -1.464095 1.323194
H -3.553593 -1.453881 -1.365940
H -4.408933 -0.320789 1.368584
H -3.665332 1.140553 -1.266872
H 3.423135 -2.684042 -1.915103
H -4.360860 2.212167 1.547273
H -5.375478 2.383849 0.067205
H -0.490685 -2.600253 -0.077463
H -3.707663 -3.447797 -0.043806
H -6.083015 -1.163242 -0.177899
H -2.705374 3.431961 0.285114


