%chk=000118397.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118397

0 1
 O    3.254100       1.316800     -0.2245000    
 O    1.106100       2.832500       1.048000    
 O    3.264500      -1.454200     -0.6292000    
 O   -1.658000       2.720700      0.1424000    
 O   -3.824500       1.161000     -0.8464000    
 O   -3.491900      -1.518700     -0.1465000    
 O   -1.351700      -3.156100      0.5072000    
 O    2.253100      -2.997300      0.8465000    
 C    4.178500      0.1825000      -2.153100    
 C    4.356800       1.303100      -1.129500    
 C    4.325900      -1.213600      -1.547100    
 C    3.431000       2.290000      0.8050000    
 C    2.222700       2.253800       1.727400    
 C  -3.8899999E-02   2.912400       1.899600    
 C   -1.165100       3.605800       1.148500    
 C   -2.770000       3.283500     -0.5580000    
 C   -3.267300       2.260600      -1.566700    
 C   -4.238700      0.1062000      -1.714600    
 C   -4.647700      -1.083400     -0.8596000    
 C   -3.701900      -2.747000      0.5484000    
 C   -2.463400      -3.011800       1.390300    
 C  -0.1099000      -3.176800       1.200900    
 C    1.004800      -3.110400      0.1712000    
 C    3.331300      -2.759800     -6.0199998E-02
 H    3.182100      0.2693000      -2.602800    
 H    4.925900      0.3028000      -2.945000    
 H    5.294900       1.165900     -0.5790000    
 H    4.394500       2.265800      -1.651900    
 H    4.283600      -1.958500      -2.350000    
 H    5.289300      -1.305900      -1.032700    
 H    3.537400       3.281500      0.3508000    
 H    4.334100       2.045600       1.374800    
 H    1.977700       1.222100       2.003500    
 H    2.436900       2.837300       2.629500    
 H   0.2157000       3.495100       2.791700    
 H  -0.3376000       1.899600       2.192600    
 H   -1.975300       3.845700       1.845700    
 H  -0.8030000       4.523700      0.6722000    
 H   -2.447900       4.193900      -1.074600    
 H   -3.563200       3.524900      0.1587000    
 H   -4.040200       2.702300      -2.204400    
 H   -2.434600       1.906000      -2.184700    
 H   -3.403800     -0.1758000      -2.366500    
 H   -5.082400      0.4470000      -2.323500    
 H   -5.418200     -0.7937000     -0.1370000    
 H   -5.021800      -1.891100      -1.497700    
 H   -3.846900      -3.546800     -0.1859000    
 H   -4.584800      -2.668200       1.191600    
 H   -2.288800      -2.164400       2.063400    
 H   -2.583200      -3.928700       1.976300    
 H  -2.8600000E-02  -4.090100       1.801100    
 H  -3.3700000E-02  -2.318700       1.879800    
 H   0.9973000      -4.011000     -0.4541000    
 H   0.8426000      -2.247800     -0.4866000    
 H    3.329600      -3.525700     -0.8453000    
 H    4.259300      -2.849800      0.5141000    


%chk=000118397-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118397

0 1
O 2.981085 1.309470 -0.127398
O 1.041560 3.207667 1.257485
O 3.499618 -1.756601 -0.414422
O -1.755831 2.955699 0.159671
O -4.003897 1.360550 -1.009103
O -3.263688 -1.420724 -0.211063
O -1.151234 -3.342164 0.561910
O 2.515743 -3.557669 0.751466
C 3.706927 0.040412 -2.068852
C 4.082946 1.155194 -1.078607
C 4.150385 -1.373888 -1.672822
C 3.270799 2.297560 0.911069
C 2.076346 2.357103 1.852560
C -0.214573 3.137515 2.007397
C -1.304046 3.853212 1.221261
C -2.898491 3.480484 -0.585613
C -3.267813 2.454351 -1.647828
C -4.067353 0.159519 -1.844289
C -4.449628 -1.027296 -0.970285
C -3.469617 -2.623537 0.593750
C -2.217659 -2.841479 1.431392
C 0.167068 -3.293948 1.203286
C 1.195539 -3.464947 0.087583
C 3.609021 -3.182957 -0.093739
H 2.609422 0.066428 -2.198990
H 4.164507 0.259198 -3.054440
H 5.028919 0.908233 -0.542002
H 4.239791 2.115912 -1.620947
H 3.869783 -2.092154 -2.477878
H 5.257659 -1.410258 -1.555675
H 3.451445 3.303088 0.469512
H 4.179005 1.993454 1.481060
H 1.695494 1.324939 2.007735
H 2.388485 2.774203 2.838065
H -0.089379 3.618907 3.005338
H -0.521883 2.080386 2.158089
H -2.150844 4.096910 1.903729
H -0.905687 4.802655 0.799411
H -2.632158 4.444973 -1.076554
H -3.766912 3.655738 0.088161
H -3.893891 2.930792 -2.436717
H -2.333305 2.075545 -2.113640
H -3.078812 -0.046746 -2.307215
H -4.820665 0.293008 -2.654415
H -5.281947 -0.744970 -0.287975
H -4.792683 -1.866920 -1.618146
H -3.652664 -3.508233 -0.055983
H -4.345279 -2.495323 1.271128
H -1.921884 -1.873981 1.890683
H -2.426842 -3.574475 2.243517
H 0.271503 -4.103414 1.958001
H 0.326996 -2.317472 1.706405
H 0.999057 -4.393797 -0.485243
H 1.167009 -2.590421 -0.585530
H 3.622010 -3.771768 -1.045240
H 4.517242 -3.385865 0.505050


