%chk=000063057.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063057

0 1
 O    4.691800     -0.7459000      0.2517000    
 O    7.591000      0.8530000      -1.129900    
 O    7.213800      1.0800000E-02  0.9524000    
 C   -1.639000      -1.186200     -0.1609000    
 C  -0.8657000     -5.9099998E-02  9.3999999E-03
 C   -1.133400      -2.608700     -0.3511000    
 C   0.6203000     -0.2424000      7.4800000E-02
 C   -3.117800      -1.076800     -0.2298000    
 C   -1.453800       1.266700      0.1193000    
 C  -0.9612000      -3.352800      0.9677000    
 C    1.200000     -0.4524000       1.301800    
 C    1.335900     -0.1926000      -1.096300    
 C   -3.716800     -0.8918000      -1.459300    
 C   -3.848700      -1.163400      0.9377000    
 C   -1.667000       2.032400      -1.027200    
 C   -1.804800       1.772600       1.371000    
 C    2.583000     -0.6232000       1.361800    
 C    2.719000     -0.3635000      -1.036400    
 C    3.342700     -0.5789000      0.1927000    
 C   -5.106300     -0.7886000      -1.524200    
 C   -5.238300      -1.060400      0.8728000    
 C   -2.230800       3.303800     -0.9219000    
 C   -2.368600       3.044200       1.476200    
 C   -5.867000     -0.8730000     -0.3583000    
 C   -2.581600       3.809700      0.3296000    
 C    5.472800     -8.0799997E-02 -0.7401000    
 C    6.830500      0.2473000     -0.1834000    
 H  -0.1790000      -2.612700     -0.8887000    
 H   -1.819300      -3.174800     -0.9946000    
 H  -0.2690000      -2.843700       1.642600    
 H  -0.5652000      -4.356200      0.7793000    
 H   -1.917800      -3.468000       1.487100    
 H   0.6175000     -0.4858000       2.217700    
 H   0.8577000     -3.2499999E-02  -2.058100    
 H   -3.134000     -0.8259000      -2.373900    
 H   -3.370300      -1.307100       1.902400    
 H   -1.399900       1.653600      -2.010900    
 H   -1.646200       1.189400       2.274900    
 H    3.063200     -0.7900000       2.322200    
 H    3.270300     -0.3490000      -1.972000    
 H   -5.595800     -0.6426000      -2.482700    
 H   -5.830700      -1.125200       1.780800    
 H   -2.397000       3.899800      -1.814500    
 H   -2.642300       3.438000       2.450600    
 H   -6.948900     -0.7925000     -0.4087000    
 H   -3.020900       4.799500      0.4116000    
 H    5.598100     -0.7463000      -1.600600    
 H    5.021000      0.8744000      -1.035300    
 H    8.484300       1.078100     -0.7927000    


%chk=000063057-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063057

0 1
O 4.811406 -0.495810 0.480302
O 7.973413 0.865337 -0.664475
O 7.540441 -0.816104 0.892048
C -1.711584 -1.222342 -0.312400
C -0.905998 -0.114132 -0.103490
C -1.150025 -2.603560 -0.649144
C 0.585768 -0.213347 0.020953
C -3.207412 -1.160687 -0.212502
C -1.452300 1.285108 -0.036672
C -1.450015 -3.688437 0.418291
C 1.208845 -1.141211 0.905816
C 1.431109 0.661380 -0.710746
C -4.042391 -1.771608 -1.189438
C -3.835287 -0.548021 0.908971
C -2.389194 1.762864 -0.994146
C -0.996866 2.188545 0.963972
C 2.606465 -1.208987 1.036179
C 2.837491 0.603097 -0.602058
C 3.425419 -0.340552 0.275772
C -5.449019 -1.746260 -1.066891
C -5.239411 -0.529571 1.038732
C -2.871408 3.087650 -0.939473
C -1.485210 3.511576 1.026351
C -6.056466 -1.124806 0.048697
C -2.427004 3.968418 0.074734
C 5.688663 0.372919 -0.280939
C 7.125689 0.031290 0.086056
H -0.063690 -2.541689 -0.826903
H -1.601931 -2.937107 -1.606477
H -0.985869 -3.435430 1.389188
H -1.054288 -4.669262 0.096863
H -2.536739 -3.793773 0.584722
H 0.583719 -1.801956 1.515204
H 0.979717 1.398265 -1.383954
H -3.591988 -2.254036 -2.064821
H -3.210396 -0.089021 1.682311
H -2.733835 1.088619 -1.785169
H -0.259754 1.845274 1.699091
H 3.084052 -1.915155 1.721875
H 3.447098 1.290267 -1.196819
H -6.069946 -2.211760 -1.841016
H -5.696635 -0.053398 1.913582
H -3.591051 3.434241 -1.689945
H -1.129937 4.185841 1.814138
H -7.147667 -1.109207 0.147782
H -2.803247 4.996806 0.118299
H 5.560315 0.233550 -1.374134
H 5.511019 1.443757 -0.050587
H 8.921736 0.662926 -0.441131


