%chk=000093057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093057

0 1
 O    5.458000      0.1530000     -6.4900003E-02
 O   -6.072400     -0.5544000       1.147900    
 C    2.010900     -0.1989000     -0.3043000    
 C    1.048300      0.8962000      0.2137000    
 C    3.198600     -3.8300000E-02  0.7027000    
 C  -0.2159000       1.070000     -0.6429000    
 C    1.958700       2.102800      0.4095000    
 C    3.290700       1.503300      0.8976000    
 C    1.239200      -1.530100     -0.2739000    
 C  -0.9557000     -0.2790000     -0.7317000    
 C  -6.1299998E-02  -1.459900      -1.097100    
 C    2.500900      7.5400002E-02  -1.758400    
 C   -1.083200       2.210700     -8.1100002E-02
 C    3.001000     -0.7302000       2.062000    
 C    4.498200     -0.5809000      0.1649000    
 C   -2.293900     -0.3734000     -0.5290000    
 C   -2.494200       2.144300     -0.6425000    
 C   -3.111800      0.8210000     -0.2766000    
 C   -3.107600      -1.648500     -0.6019000    
 C    4.564300      -2.065100     -7.4400000E-02
 C   -4.347400      0.7678000      0.2477000    
 C   -4.084600      -1.761500      0.5627000    
 C   -4.940700     -0.5240000      0.6699000    
 H   0.6987000      0.6053000       1.217200    
 H   5.6800000E-02   1.357700      -1.665600    
 H    1.552400       2.809300       1.140600    
 H    2.105800       2.648800     -0.5291000    
 H    4.103400       1.981000      0.3404000    
 H    3.449800       1.760400       1.951900    
 H   0.9572000      -1.791900      0.7528000    
 H    1.844500      -2.358100     -0.6516000    
 H  -0.5635000      -2.421600     -0.9773000    
 H   0.1776000      -1.388500      -2.164800    
 H    3.132000      0.9678000      -1.824000    
 H    3.083900     -0.7618000      -2.153100    
 H    1.679500      0.2261000      -2.463000    
 H  -0.6331000       3.178300     -0.3341000    
 H   -1.124700       2.159600       1.015500    
 H    3.901700     -0.6392000       2.682300    
 H    2.181400     -0.2761000       2.629300    
 H    2.775100      -1.796800       1.982800    
 H   -2.474700       2.253200      -1.734200    
 H   -3.079200       2.983600     -0.2476000    
 H   -3.666200      -1.646000      -1.548000    
 H   -2.497300      -2.553000     -0.6070000    
 H    4.293900      -2.644200      0.8079000    
 H    3.963800      -2.362600     -0.9318000    
 H    5.603200      -2.324000     -0.3087000    
 H   -4.940800       1.660500      0.4134000    
 H   -3.554300      -1.896900       1.512000    
 H   -4.738900      -2.625500      0.4031000    


%chk=000093057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093057

0 1
O 5.417279 0.178656 -0.525664
O -6.402814 -0.548723 0.754719
C 2.017904 -0.213553 -0.325852
C 1.070426 0.894359 0.239287
C 3.276127 -0.056497 0.666478
C -0.235442 1.091747 -0.575147
C 1.991049 2.118253 0.434068
C 3.354059 1.501857 0.884647
C 1.235627 -1.549216 -0.292673
C -0.978856 -0.250399 -0.675457
C -0.105566 -1.431865 -1.079857
C 2.483400 0.097294 -1.777621
C -1.103320 2.214887 0.035662
C 3.064733 -0.776410 2.027999
C 4.573762 -0.593525 0.007689
C -2.340540 -0.358684 -0.456545
C -2.526423 2.188955 -0.557246
C -3.174925 0.847026 -0.275752
C -3.115824 -1.675869 -0.502731
C 4.831366 -2.099276 0.011801
C -4.507926 0.765455 0.077669
C -4.261439 -1.723037 0.537148
C -5.167587 -0.492242 0.457182
H 0.746171 0.552984 1.247292
H 0.044944 1.405582 -1.606564
H 1.593132 2.830763 1.177811
H 2.100842 2.672380 -0.518383
H 4.199193 1.914236 0.308261
H 3.552401 1.715009 1.950759
H 1.004694 -1.827858 0.753119
H 1.824076 -2.377383 -0.734515
H -0.652656 -2.384942 -0.990862
H 0.132905 -1.325739 -2.159586
H 3.130049 0.989464 -1.821842
H 3.069021 -0.746952 -2.187323
H 1.632957 0.264299 -2.459871
H -0.626533 3.195259 -0.147835
H -1.162647 2.079476 1.134494
H 3.919348 -0.572960 2.699814
H 2.157607 -0.401468 2.534079
H 2.967311 -1.870993 1.927923
H -2.460244 2.340386 -1.655540
H -3.144793 3.010022 -0.153089
H -3.557820 -1.793035 -1.514687
H -2.453637 -2.544089 -0.346301
H 5.179056 -2.417088 1.013679
H 3.920272 -2.680899 -0.212229
H 5.621633 -2.334693 -0.718171
H -5.126638 1.670200 0.125234
H -3.836908 -1.757185 1.561945
H -4.880708 -2.628271 0.411788


