%chk=000072431.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072431

0 1
 O   -1.540600       2.580800     -9.3699999E-02
 O   -3.319000     -0.6589000     -0.5483000    
 O  -0.8617000      -1.001200      0.6346000    
 O    1.818600     -0.8275000     -0.9798000    
 O   -2.756300      -1.814400      -2.468000    
 O   0.8571000      -2.460300      0.1674000    
 O    3.448000      -2.385500      -1.384100    
 C   -2.555800       1.583500      0.1370000    
 C   -2.338400      0.3485000     -0.7651000    
 C  -0.9494000     -0.2640000     -0.5811000    
 C   9.4099998E-02  0.8150000     -0.5528000    
 C  -0.2591000       2.147500     -0.3097000    
 C   -3.884300       2.267500     -0.2359000    
 C   -2.601500       1.271200       1.641300    
 C    1.452600      0.5205000     -0.7518000    
 C   0.7201000       3.148400     -0.2974000    
 C    2.438000       1.506800     -0.7322000    
 C    2.063400       2.830500     -0.5061000    
 C   -3.210800      -1.774000      -1.332700    
 C   0.3337000      -1.613200      0.8772000    
 C    3.824600       1.128700     -0.9496000    
 C    3.137200      -1.215900      -1.188500    
 C    4.151600     -0.1479000      -1.163400    
 C   -3.736100      -2.968800     -0.5960000    
 C   0.9145000      -1.096900       2.153800    
 C    2.406600      -1.097900       2.308500    
 C   2.7200000E-02 -0.6965000       3.083100    
 C   0.3257000     -0.1260000       4.433200    
 H   -2.417700      0.6950000      -1.807100    
 H  -0.7372000     -0.9431000      -1.415100    
 H   -3.890500       2.551700      -1.294600    
 H   -4.743900       1.616300     -4.6999998E-02
 H   -4.021800       3.197000      0.3290000    
 H   -1.598200       1.132100       2.041700    
 H   -3.007400       2.122800       2.201000    
 H   -3.219300      0.3975000       1.867200    
 H   0.4416000       4.184300     -0.1190000    
 H    2.804800       3.625400     -0.4870000    
 H    4.587800       1.899000     -0.9345000    
 H    5.184700     -0.4351000      -1.325200    
 H   -4.790800      -2.819500     -0.3522000    
 H   -3.149700      -3.130600      0.3120000    
 H   -3.646600      -3.854800      -1.231100    
 H    2.708400      -1.208200       3.354300    
 H    2.859000      -1.935900       1.768800    
 H    2.832000     -0.1670000       1.925000    
 H   -1.040000     -0.8237000       2.919200    
 H  -0.2230000      0.8124000       4.562600    
 H    1.386000      9.1499999E-02   4.582900    
 H   1.1000000E-03 -0.8219000       5.212600    


%chk=000072431-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072431

0 1
O -1.801720 2.714213 -0.743351
O -2.729749 -0.876642 -0.144703
O -0.179525 -0.282864 0.971534
O 2.320700 0.137398 -0.816002
O -2.665677 -1.910366 -2.241717
O -0.277220 -2.549454 0.406065
O 4.252544 -1.133661 -0.839992
C -2.574641 1.563996 -0.115040
C -1.979089 0.262331 -0.707035
C -0.468990 0.073271 -0.454944
C 0.264823 1.355702 -0.755944
C -0.422728 2.590365 -0.883773
C -4.012717 1.782770 -0.597666
C -2.451625 1.687178 1.412629
C 1.666794 1.362200 -0.946750
C 0.270114 3.792130 -1.211228
C 2.388180 2.549907 -1.265948
C 1.653995 3.765784 -1.397243
C -2.941883 -1.967306 -1.026794
C -0.035810 -1.655337 1.256411
C 3.816536 2.448204 -1.443532
C 3.776844 0.005578 -0.988985
C 4.476377 1.243559 -1.313081
C -3.503395 -3.144865 -0.274763
C 0.417069 -1.928982 2.652642
C 0.495722 -3.403754 2.991433
C 0.739115 -0.891364 3.485822
C 1.225416 -0.975135 4.908599
H -2.124215 0.275033 -1.806296
H -0.097646 -0.764521 -1.073128
H -4.076580 1.722160 -1.697845
H -4.674565 1.015876 -0.161554
H -4.367315 2.778597 -0.282137
H -1.399913 1.672746 1.738314
H -2.925126 2.626375 1.746261
H -2.962020 0.835743 1.894559
H -0.307727 4.715105 -1.305928
H 2.191594 4.687859 -1.645525
H 4.380837 3.355630 -1.689468
H 5.557307 1.155074 -1.445796
H -4.148527 -2.819558 0.556217
H -2.649351 -3.704532 0.149940
H -4.053620 -3.804491 -0.962256
H 0.859838 -3.575151 4.016342
H -0.494656 -3.883963 2.886794
H 1.169199 -3.923241 2.286520
H 0.646513 0.122474 3.074437
H 2.231732 -0.519568 4.995989
H 1.282338 -2.005372 5.294302
H 0.561743 -0.391931 5.577013


