%chk=000129008.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129008

0 1
 I  -0.4698000      -3.352400       1.092400    
 O    4.704400      -2.374800      0.7384000    
 O   -4.334800     -0.3591000      0.4378000    
 O   -3.945500      0.6895000      -1.581900    
 C    3.305100       2.752400      0.4506000    
 C    3.501300       1.568400     -0.5183000    
 C    3.422800      0.1974000      0.1629000    
 C    3.609400     -0.9330000     -0.8627000    
 C    3.664100      -2.352200     -0.2477000    
 C    2.017900       2.673700       1.300700    
 C    3.382100       4.072400     -0.3272000    
 C    4.045500      -3.366100      -1.336400    
 C    2.405700      -2.848700      0.4349000    
 C   0.7363000       2.663500      0.5110000    
 C  -0.1886000       1.695100      0.6158000    
 C    1.138000      -2.578100      9.2100002E-02
 C   -1.457100       1.611500     -0.1124000    
 C   -1.753200       2.699700      -1.111800    
 C   -2.256700      0.5545000      0.1321000    
 C   -5.674700     -0.6618000      3.5900000E-02
 C   -3.588700      0.3207000     -0.4755000    
 C   -5.689300      -1.996700     -0.6932000    
 C   -6.574400     -0.6761000       1.262300    
 H    4.148000       2.744800       1.155400    
 H    4.478100       1.669900      -1.008700    
 H    2.748500       1.615600      -1.315600    
 H    4.195700      0.1394000      0.9377000    
 H    2.455900      6.5300003E-02  0.6549000    
 H    4.561500     -0.7475000      -1.378900    
 H    2.825100     -0.8741000      -1.627400    
 H    2.070300       1.809900       1.973800    
 H    1.986100       3.550300       1.961600    
 H    4.365100       4.180000     -0.7990000    
 H    3.240800       4.928800      0.3405000    
 H    2.629500       4.126600      -1.120200    
 H    5.023600      -3.122600      -1.767700    
 H    4.138100      -4.379100     -0.9258000    
 H    3.307900      -3.389800      -2.146100    
 H    2.572500      -3.533800       1.266500    
 H   0.5756000       3.508900     -0.1506000    
 H    4.841800      -3.294500       1.023900    
 H   1.5900001E-02  0.8781000       1.306900    
 H   0.9112000      -1.927300     -0.7442000    
 H   -1.032700       2.668400      -1.936500    
 H   -2.750500       2.648000      -1.549100    
 H   -1.696200       3.684700     -0.6341000    
 H   -1.968500     -0.1789000      0.8826000    
 H   -6.059400      0.1179000     -0.6339000    
 H   -5.289800      -2.793400     -5.6000002E-02
 H   -6.703100      -2.270300      -1.001000    
 H   -5.055300      -1.961200      -1.585400    
 H   -6.233100      -1.422000       1.988400    
 H   -7.612200     -0.8962000      0.9944000    
 H   -6.541700      0.2940000       1.769800    


%chk=000129008-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129008

0 1
I -0.496834 -2.888258 1.983612
O 4.734383 -2.382999 0.654198
O -4.290811 -0.449333 0.449577
O -4.306184 1.290545 -1.115227
C 3.403360 2.743011 0.295416
C 3.388022 1.491644 -0.621611
C 3.451628 0.142413 0.127870
C 3.414781 -1.051930 -0.851104
C 3.510585 -2.447820 -0.195207
C 2.146343 2.818853 1.228113
C 3.569907 4.034278 -0.542383
C 3.693966 -3.550013 -1.269082
C 2.328761 -2.831012 0.704792
C 0.826686 2.812477 0.493403
C -0.181711 1.914280 0.715003
C 1.110975 -2.248371 0.708931
C -1.475273 1.883842 0.012343
C -1.755275 2.927046 -1.052030
C -2.368674 0.890898 0.367317
C -5.658935 -0.864745 -0.015550
C -3.706623 0.656278 -0.201384
C -5.513180 -1.744752 -1.266580
C -6.291035 -1.582513 1.179441
H 4.283185 2.663027 0.969297
H 4.249257 1.556305 -1.319226
H 2.473455 1.523667 -1.251305
H 4.378985 0.080678 0.726851
H 2.610791 0.065821 0.841813
H 4.268007 -0.965339 -1.552380
H 2.494700 -1.010844 -1.468642
H 2.169171 1.987203 1.957159
H 2.229381 3.757597 1.817000
H 4.522574 4.016245 -1.103407
H 3.572021 4.934976 0.099829
H 2.755058 4.146929 -1.282323
H 4.630825 -3.369730 -1.826527
H 3.746000 -4.556768 -0.811376
H 2.849928 -3.550047 -1.981128
H 2.523842 -3.683098 1.373135
H 0.686313 3.594946 -0.266407
H 4.941025 -3.294525 0.987517
H -0.034234 1.142033 1.486375
H 0.810956 -1.407970 0.078216
H -0.985429 2.885289 -1.846053
H -2.744442 2.776236 -1.505926
H -1.713153 3.942652 -0.614396
H -2.087624 0.175541 1.149838
H -6.211269 0.059308 -0.270753
H -4.888484 -2.628607 -1.045413
H -6.507314 -2.094274 -1.601495
H -5.051883 -1.175393 -2.090700
H -5.699473 -2.473712 1.454997
H -7.316281 -1.908162 0.925696
H -6.342253 -0.914103 2.055874


