%chk=000083787.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083787

0 1
 O   0.6474000      -3.337300      0.2594000    
 O   -1.704100      -3.286400     -0.1947000    
 O    2.091000     -0.9406000      0.3053000    
 O   -2.266400     -0.5457000     -0.2481000    
 C    1.014000      -2.675700     -0.9440000    
 C   -2.225200      -2.619400      0.9473000    
 C    2.302400      -1.909400     -0.7146000    
 C   -3.077200      -1.450500      0.4917000    
 C  -0.5618000      -4.082800      0.1193000    
 C    2.852500      0.1968000      0.2435000    
 C   -2.628900      0.7751000     -0.2165000    
 C    4.131100      0.1509000     -0.3123000    
 C   -3.970100       1.127100     -6.4300001E-02
 C    2.349200       1.400600      0.7370000    
 C   -1.656600       1.768200     -0.3369000    
 C    4.906500       1.308700     -0.3744000    
 C   -4.339100       2.472000     -3.2900002E-02
 C    3.124700       2.558300      0.6746000    
 C   -2.025800       3.113000     -0.3053000    
 C    4.403400       2.512300      0.1189000    
 C   -3.367000       3.464800     -0.1532000    
 H   0.2206000      -1.975800      -1.229300    
 H    1.154100      -3.411000      -1.743800    
 H   -2.820000      -3.326300       1.534800    
 H   -1.401800      -2.241400       1.565500    
 H    3.089000      -2.596300     -0.3822000    
 H    2.586700      -1.447400      -1.668200    
 H   -3.880500      -1.809300     -0.1619000    
 H   -3.504000     -0.9830000       1.387700    
 H  -0.7345000      -4.643400       1.045200    
 H  -0.4341000      -4.818900     -0.6824000    
 H    4.570900     -0.7704000     -0.6821000    
 H   -4.760800      0.3860000      4.8000002E-03
 H    1.356300       1.441500       1.175700    
 H  -0.6120000       1.499100     -0.4617000    
 H    5.904700       1.272200     -0.8011000    
 H   -5.384000       2.746500      7.9000004E-02
 H    2.733500       3.495300       1.060100    
 H   -1.268800       3.886000     -0.4007000    
 H    5.007700       3.413500      7.1999997E-02
 H   -3.654500       4.511900     -0.1304000    


%chk=000083787-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000083787

0 1
O 0.554461 -3.201551 0.080716
O -1.853388 -3.557838 0.064328
O 1.645880 -0.354286 -0.129063
O -2.046156 -0.602697 0.370128
C 0.567314 -2.299161 -1.090621
C -2.169851 -2.812731 1.299523
C 1.851179 -1.487190 -1.046888
C -2.987256 -1.585361 0.922807
C -0.530080 -4.160860 0.051459
C 2.733610 0.505077 0.098724
C -2.541278 0.649649 -0.030245
C 4.003750 0.375704 -0.518408
C -3.908504 1.020277 0.004174
C 2.485419 1.563330 1.009962
C -1.556576 1.561323 -0.489203
C 5.018508 1.313878 -0.214506
C -4.281083 2.315547 -0.428242
C 3.506499 2.488561 1.299877
C -1.947055 2.845355 -0.915863
C 4.780684 2.371332 0.689841
C -3.310962 3.231913 -0.888734
H -0.316051 -1.636419 -1.064432
H 0.545146 -2.909526 -2.020273
H -2.762308 -3.467979 1.970342
H -1.239749 -2.494766 1.807181
H 2.687948 -2.121988 -0.693297
H 2.088784 -1.099120 -2.059680
H -3.754402 -1.855389 0.169476
H -3.487778 -1.166757 1.821365
H -0.353775 -4.794783 0.941461
H -0.526805 -4.758277 -0.882178
H 4.212548 -0.435237 -1.222429
H -4.676601 0.324188 0.354999
H 1.497004 1.634522 1.475083
H -0.509820 1.239250 -0.495626
H 5.999998 1.211568 -0.691655
H -5.338467 2.603316 -0.403322
H 3.308619 3.303324 2.005447
H -1.184096 3.548290 -1.269012
H 5.572210 3.092510 0.918801
H -3.609022 4.231803 -1.221220


