%chk=000089358.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089358

0 1
 O   -5.025300       1.081000      8.4299996E-02
 O    5.817800     -0.1708000      0.3779000    
 O   -6.400100     -0.7142000     -0.4715000    
 O    5.902800       1.479800      -1.254900    
 C   -2.099600      -1.098700      6.5200001E-02
 C   -2.684700      0.2990000     -0.2922000    
 C  -0.5621000      -1.230200      0.1116000    
 C   0.1401000     -7.9999998E-04  0.7312000    
 C   -1.878700       1.460700      0.3181000    
 C  -0.3742000       1.316500      0.1243000    
 C   -2.760400      -1.466400       1.413700    
 C   2.7899999E-02  -1.529200      -1.277000    
 C   -4.024500      0.2066000      0.4004000    
 C    1.654600     -7.6600000E-02  0.6190000    
 C   -2.850800      0.4727000      -1.808000    
 C   -4.068100     -0.7515000       1.333100    
 C    1.508200      -1.885900      -1.165500    
 C    2.289100     -0.9352000     -0.2970000    
 C    2.444000      0.7442000       1.443800    
 C    3.691600     -0.9610000     -0.3633000    
 C    3.835800      0.7158000       1.361700    
 C    4.459700     -0.1366000      0.4573000    
 C   -6.188600      0.4854000     -0.3485000    
 C   -7.209100       1.543400     -0.6508000    
 C    6.435800      0.6806000     -0.4962000    
 C    7.919000      0.4714000     -0.4168000    
 H   -2.477100      -1.835200     -0.6623000    
 H  -0.3289000      -2.104500      0.7383000    
 H  -0.1013000      5.0000002E-04   1.803800    
 H   -2.072000       1.539100       1.397300    
 H   -2.208500       2.416200     -0.1102000    
 H  -0.1190000       1.387900     -0.9394000    
 H   0.1151000       2.172400      0.6062000    
 H   -2.190500      -1.118600       2.281100    
 H   -2.900600      -2.549100       1.492300    
 H  -8.1799999E-02 -0.6691000      -1.944400    
 H  -0.5011000      -2.365000      -1.750200    
 H   -3.367000       1.410400      -2.045400    
 H   -1.889200      0.4980000      -2.325600    
 H   -3.441300     -0.3419000      -2.243500    
 H   -4.910700     -0.9593000       1.976100    
 H    1.939800      -1.911200      -2.173400    
 H    1.605600      -2.892700     -0.7399000    
 H    1.973600       1.414300       2.159600    
 H    4.187600      -1.635000      -1.058800    
 H    4.425300       1.359700       2.008600    
 H   -6.828700       2.213700      -1.425700    
 H   -7.445000       2.100400      0.2593000    
 H   -8.124000       1.070600      -1.019200    
 H    8.263800      0.6406000      0.6065000    
 H    8.421800       1.187800      -1.072800    
 H    8.168400     -0.5405000     -0.7454000    


%chk=000089358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000089358

0 1
O -5.163768 0.755226 -0.152397
O 5.844064 0.529131 0.474325
O -6.794992 -0.056731 1.332549
O 6.558791 -0.938121 -1.228199
C -2.049955 -1.253740 -0.155002
C -2.791161 0.097432 -0.496013
C -0.496633 -1.231025 -0.124558
C 0.076864 0.040175 0.565241
C -2.089634 1.326192 0.177935
C -0.561259 1.330290 -0.028366
C -2.708202 -1.746041 1.176207
C 0.156400 -1.414129 -1.518539
C -4.129372 -0.149207 0.207373
C 1.604156 0.094032 0.496310
C -2.960747 0.335074 -2.015909
C -4.101562 -1.138612 1.140037
C 1.671756 -1.664982 -1.375985
C 2.353672 -0.675537 -0.434857
C 2.303353 0.962015 1.376183
C 3.768357 -0.562189 -0.482680
C 3.703005 1.079733 1.342623
C 4.428635 0.312443 0.403666
C -6.445963 0.743440 0.442186
C -7.289943 1.836592 -0.175055
C 6.809287 -0.104353 -0.333248
C 8.181480 0.393965 0.066691
H -2.358937 -1.978222 -0.937675
H -0.180888 -2.110125 0.480779
H -0.212014 0.015216 1.638490
H -2.296278 1.307109 1.267274
H -2.538806 2.258760 -0.214661
H -0.304639 1.419055 -1.101806
H -0.122031 2.217552 0.466535
H -2.148155 -1.386586 2.066473
H -2.722091 -2.850487 1.238484
H -0.014936 -0.521621 -2.149699
H -0.312756 -2.269229 -2.042447
H -3.639219 1.187374 -2.198973
H -1.993233 0.559517 -2.498178
H -3.390253 -0.554820 -2.511586
H -4.921951 -1.426989 1.795964
H 2.165082 -1.636778 -2.366336
H 1.831805 -2.691453 -0.983653
H 1.735842 1.551880 2.106805
H 4.340479 -1.151988 -1.201045
H 4.243418 1.744974 2.022289
H -7.372960 1.683662 -1.265073
H -6.813603 2.819937 -0.017714
H -8.291023 1.831311 0.279213
H 8.239479 1.489229 -0.057062
H 8.945492 -0.093004 -0.555892
H 8.370048 0.174154 1.131776


