%chk=000022692.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022692

0 1
 O    4.836900     -0.2378000     -0.2010000    
 O    8.405900      0.1245000     -0.2565000    
 O    6.201100       1.556600      0.2869000    
 C   -2.657000     -0.3993000     -0.1158000    
 C   -3.964100      0.3721000      9.6000001E-02
 C   -1.406500      0.4544000      0.1077000    
 C   -5.253800     -0.4476000     -2.5400000E-02
 C  -0.1003000     -0.3143000     -0.1165000    
 C   -6.524800      0.3899000      0.1372000    
 C    1.150800      0.5449000      8.3099999E-02
 C   -7.812500     -0.4139000     -7.1900003E-02
 C    2.425200     -0.2642000     -0.1803000    
 C   -9.084000      0.4249000      6.3400000E-02
 C    3.687400      0.5618000      3.6899999E-02
 C   -10.33170     -0.4342000     -7.7600002E-02
 C    6.045600      0.3870000     -3.9600000E-02
 C    7.174200     -0.5737000     -0.3549000    
 C    7.207700      -1.730900      0.6281000    
 H   -2.643900     -0.8070000      -1.133900    
 H   -2.633300      -1.256000      0.5689000    
 H   -3.942100      0.8353000       1.090800    
 H   -4.000800       1.197000     -0.6270000    
 H   -1.418300      0.8524000       1.129900    
 H   -1.435800       1.317500     -0.5688000    
 H   -5.268900     -0.9370000      -1.007000    
 H   -5.245800      -1.246200      0.7263000    
 H  -6.5800004E-02  -1.170000      0.5691000    
 H  -9.7999997E-02 -0.7237000      -1.134400    
 H   -6.503500       1.218700     -0.5812000    
 H   -6.535600      0.8386000       1.138000    
 H    1.166500      0.9359000       1.107400    
 H    1.117200       1.407100     -0.5936000    
 H   -7.839200      -1.233600      0.6570000    
 H   -7.790800     -0.8764000      -1.066500    
 H    2.454900      -1.144500      0.4740000    
 H    2.420600     -0.6542000      -1.205800    
 H   -9.093500       1.210200     -0.7010000    
 H   -9.098500      0.9215000       1.040400    
 H    3.691800       1.417400     -0.6489000    
 H    3.712900      0.9338000       1.068100    
 H   -10.36600      -1.207100      0.6968000    
 H   -11.22970      0.1839000      1.9500000E-02
 H   -10.36110     -0.9252000      -1.055600    
 H    7.060000     -0.9197000      -1.387400    
 H    7.317300      -1.367500       1.656300    
 H    6.294100      -2.331200      0.5762000    
 H    8.064100      -2.383600      0.4282000    
 H    9.103500     -0.4626000     -0.5948000    


%chk=000022692-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022692

0 1
O 4.903108 -0.395924 -0.229046
O 8.530393 -0.086430 -0.609290
O 6.329346 1.443630 -0.063085
C -2.691159 -0.386077 -0.163046
C -3.982194 0.419294 0.105837
C -1.402187 0.437438 0.055500
C -5.274412 -0.395901 -0.124640
C -0.109088 -0.370723 -0.192870
C -6.563425 0.409967 0.153311
C 1.175099 0.466275 0.001971
C -7.857919 -0.400466 -0.081563
C 2.466058 -0.359192 -0.211100
C -9.145526 0.408265 0.196974
C 3.715158 0.505030 -0.053270
C -10.434841 -0.407971 -0.038123
C 6.142697 0.207792 -0.205046
C 7.286824 -0.803118 -0.343663
C 7.408805 -1.675377 0.927215
H -2.708773 -0.770071 -1.204599
H -2.672916 -1.279078 0.496547
H -3.968110 0.795177 1.150506
H -3.995680 1.317834 -0.546419
H -1.392695 0.833957 1.092469
H -1.416300 1.322525 -0.614784
H -5.292413 -0.766276 -1.171189
H -5.259805 -1.297728 0.522997
H -0.085733 -1.244487 0.491359
H -0.124977 -0.782757 -1.223289
H -6.575872 1.313946 -0.491504
H -6.546735 0.777269 1.201062
H 1.176454 0.900560 1.023386
H 1.159846 1.324477 -0.701915
H -7.848218 -1.304507 0.563181
H -7.876912 -0.767576 -1.129324
H 2.504021 -1.191908 0.517280
H 2.461846 -0.812996 -1.220642
H -9.155012 1.310409 -0.448670
H -9.124870 0.776296 1.243288
H 3.774639 1.306366 -0.812368
H 3.783363 0.968583 0.948339
H -10.467967 -1.296039 0.621229
H -11.339611 0.195135 0.162312
H -10.491927 -0.765853 -1.083635
H 7.081664 -1.449460 -1.216567
H 7.558225 -1.045474 1.822016
H 6.506712 -2.296338 1.067203
H 8.287145 -2.332784 0.817555
H 8.386273 0.868284 -0.361091


