%chk=000163332.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163332

0 1
 O    2.810100      0.3644000      0.3758000    
 O    4.128000      -1.106400     -0.8171000    
 O   -6.852500       1.350200       1.011800    
 C   0.3596000      0.1372000      0.6954000    
 C  -0.5752000      -1.093500      0.5664000    
 C   -1.220900      -1.266600     -0.8406000    
 C   -1.839500      4.2199999E-02  -1.389300    
 C    1.659200     -0.3945000      5.0099999E-02
 C  -0.1849000       1.395600     -3.5999999E-03
 C   0.3550000      -2.278200      0.9043000    
 C  -0.7597000       1.137400      -1.391300    
 C    1.774000      -1.843100      0.5263000    
 C   -2.294800      -2.365500     -0.8827000    
 C   0.5770000      0.5004000       2.184900    
 C   -3.165100      0.3947000     -0.7191000    
 C   -3.493000      -2.038900      1.3000000E-03
 C   -3.946100     -0.6037000     -9.7599998E-02
 C   -3.686300       1.699500     -0.7830000    
 C   -5.177900     -0.2658000      0.4907000    
 C    3.993100     -0.1059000     -0.1263000    
 C   -4.915100       2.020300     -0.2022000    
 C   -5.658400       1.039300      0.4407000    
 C    5.113300      0.8116000      0.3080000    
 C    6.473300      0.3343000     -0.1987000    
 C    7.588700       1.293200      0.2153000    
 C    8.938200      0.8419000     -0.3197000    
 H   -1.365600      -1.028500       1.322100    
 H  -0.4313000      -1.571800      -1.541800    
 H   -2.100700     -0.1361000      -2.443400    
 H    1.559500     -0.3939000      -1.042300    
 H   0.6085000       2.149600     -8.2199998E-02
 H  -0.9709000       1.847300      0.6154000    
 H   8.1000000E-02  -3.209600      0.4014000    
 H   0.3156000      -2.483100       1.981200    
 H   -1.137100       2.076400      -1.808900    
 H   4.8599999E-02  0.8357000      -2.069000    
 H    2.448700      -1.950300       1.383600    
 H    2.156200      -2.492300     -0.2692000    
 H   -1.884800      -3.339700     -0.5970000    
 H   -2.638700      -2.478200      -1.920100    
 H    1.234000       1.371900       2.285000    
 H  -0.3748000      0.7470000       2.669300    
 H    1.031400     -0.3165000       2.754000    
 H   -3.249600      -2.254900       1.048600    
 H   -4.320100      -2.703400     -0.2785000    
 H   -3.150300       2.494400      -1.292400    
 H   -5.762200      -1.038100      0.9873000    
 H   -5.285600       3.040200     -0.2609000    
 H    4.902100       1.813000     -8.3499998E-02
 H    5.120000      0.8498000       1.403100    
 H    6.682200     -0.6696000      0.1916000    
 H    6.449100      0.2480000      -1.292300    
 H   -7.230400      0.5478000       1.411000    
 H    7.636800       1.358200       1.308600    
 H    7.373300       2.300200     -0.1606000    
 H    9.199000     -0.1507000      6.1099999E-02
 H    8.932700      0.8001000      -1.413600    
 H    9.721500       1.541000     -1.0600000E-02


%chk=000163332-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000163332

0 1
O 2.855512 0.031284 0.620035
O 4.001952 -0.689143 -1.282486
O -6.766342 1.821625 0.827278
C 0.367903 -0.103962 0.795734
C -0.652263 -1.285873 0.622536
C -1.256326 -1.406663 -0.812417
C -1.746579 -0.049205 -1.394960
C 1.650237 -0.739795 0.191478
C -0.061200 1.201054 0.076759
C 0.185861 -2.558930 0.991041
C -0.584655 0.977352 -1.356462
C 1.680706 -2.203918 0.692840
C -2.425745 -2.422217 -0.872134
C 0.569126 0.201986 2.303474
C -3.056741 0.426335 -0.740008
C -3.616596 -1.980954 0.006022
C -3.952722 -0.497757 -0.127683
C -3.450966 1.790404 -0.803920
C -5.188218 -0.040571 0.396776
C 3.969310 -0.016914 -0.224998
C -4.674905 2.248949 -0.283628
C -5.549431 1.320890 0.322906
C 5.084591 0.864188 0.316235
C 6.458001 0.562940 -0.317003
C 7.549977 1.547087 0.157582
C 8.929720 1.246384 -0.466316
H -1.480465 -1.137390 1.340699
H -0.455660 -1.774171 -1.490107
H -1.978533 -0.237002 -2.467339
H 1.631755 -0.712015 -0.912994
H 0.799128 1.899675 0.066532
H -0.855799 1.687285 0.676347
H -0.144564 -3.437379 0.408660
H 0.056054 -2.817855 2.057162
H -0.887112 1.944270 -1.799935
H 0.228063 0.594610 -2.006106
H 2.295837 -2.262147 1.609045
H 2.139752 -2.872348 -0.054434
H -2.094706 -3.432198 -0.563991
H -2.757031 -2.504439 -1.926666
H 1.318285 1.000791 2.441727
H -0.385795 0.539415 2.747541
H 0.915111 -0.681473 2.869004
H -3.395005 -2.201301 1.070856
H -4.508646 -2.588065 -0.243489
H -2.788095 2.522495 -1.276994
H -5.871148 -0.765828 0.863229
H -4.965687 3.301939 -0.339884
H 4.800110 1.918574 0.118458
H 5.112378 0.761992 1.416859
H 6.758994 -0.474469 -0.070883
H 6.366717 0.601807 -1.418924
H -7.303658 1.093763 1.227578
H 7.627575 1.510528 1.263656
H 7.246047 2.582962 -0.099043
H 9.273130 0.229602 -0.197712
H 8.885288 1.303262 -1.570175
H 9.695674 1.964536 -0.120558


