%chk=000005659.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005659

0 1
 O    4.781800      -2.134500      -1.174700    
 O   -5.902400     -0.6626000     -0.2634000    
 O   -5.697900       1.585700     -0.7386000    
 C    3.418000      -1.700800      -1.095300    
 C    4.458300      -1.202800     -0.1346000    
 C    2.458800      -2.757100     -0.6993000    
 C    5.074200      0.1543000     -0.2997000    
 C    1.252000      -2.194100      6.4099997E-02
 C   0.2459000      -3.285800      0.4300000    
 C    4.394200       1.238700      0.4854000    
 C  -0.9325000      -2.714600       1.218100    
 C    3.856800       2.335700     -6.8300001E-02
 C    3.186700       3.425300      0.7181000    
 C    1.722200       3.629400      0.3162000    
 C   0.8824000       2.355200      0.4583000    
 C  -0.5784000       2.608000      7.9300001E-02
 C   -1.918500      -3.802900       1.612300    
 C   -1.466200       1.366600      0.2150000    
 C   -2.946500       1.564200     -0.1250000    
 C   -3.770500      0.2808000     -3.0800000E-02
 C   -5.221100      0.5151000     -0.3881000    
 C   -7.297100     -0.6036000     -0.5790000    
 H    3.045800      -1.040000      -1.866500    
 H    4.467400      -1.566300      0.8843000    
 H    2.952600      -3.515900     -7.8900002E-02
 H    2.110100      -3.271400      -1.602900    
 H    6.116000      9.7800002E-02  3.8899999E-02
 H    5.115500      0.4215000      -1.363600    
 H   0.7590000      -1.428100     -0.5475000    
 H    1.600900      -1.690400      0.9744000    
 H  -0.1207000      -3.769600     -0.4834000    
 H   0.7460000      -4.058400       1.026700    
 H    4.353100       1.109200       1.564200    
 H  -0.5694000      -2.214200       2.123300    
 H   -1.450800      -1.959800      0.6160000    
 H    3.905600       2.470000      -1.146100    
 H    3.237900       3.215300       1.793600    
 H    3.734900       4.360700      0.5550000    
 H    1.294600       4.424500      0.9391000    
 H    1.675300       3.981300     -0.7223000    
 H   0.9355000       1.993500       1.492300    
 H    1.276900       1.560100     -0.1846000    
 H  -0.9849000       3.404900      0.7142000    
 H  -0.6290000       2.970200     -0.9548000    
 H   -1.060900      0.5784000     -0.4321000    
 H   -1.391300      0.9897000       1.243000    
 H   -2.324300      -4.303600      0.7274000    
 H   -2.754600      -3.371500       2.171700    
 H   -1.439100      -4.556700       2.244900    
 H   -3.026300       1.973000      -1.140400    
 H   -3.369800       2.322300      0.5460000    
 H   -3.365100     -0.4692000     -0.7190000    
 H   -3.725500     -0.1104000      0.9917000    
 H   -7.719600      -1.602200     -0.4398000    
 H   -7.437000     -0.3055000      -1.622400    
 H   -7.808700      9.1100000E-02  9.3999997E-02


%chk=000005659-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005659

0 1
O 5.179705 -2.312760 -0.883634
O -6.007789 -0.699061 0.142850
O -5.851792 1.488881 -0.639707
C 3.726404 -1.860802 -0.876538
C 4.714372 -1.199557 0.035670
C 2.706088 -2.875686 -0.397771
C 5.292606 0.182761 -0.244449
C 1.307006 -2.246491 -0.184254
C 0.257656 -3.272271 0.301672
C 4.551626 1.277878 0.501591
C -1.153346 -2.664544 0.472302
C 3.922572 2.332072 -0.081207
C 3.205552 3.446454 0.654620
C 1.730067 3.636670 0.204755
C 0.822844 2.433987 0.544417
C -0.643771 2.629991 0.098715
C -2.200467 -3.686299 0.966295
C -1.534673 1.409807 0.419879
C -3.001408 1.586877 -0.029569
C -3.852839 0.342777 0.288114
C -5.306793 0.484493 -0.130053
C -7.447816 -0.688942 -0.213737
H 3.456268 -1.309143 -1.791251
H 4.698241 -1.504918 1.093594
H 3.064223 -3.336572 0.543394
H 2.633769 -3.693467 -1.143114
H 6.360561 0.175235 0.058389
H 5.268685 0.368916 -1.334039
H 0.958914 -1.792200 -1.135910
H 1.381879 -1.416151 0.548540
H 0.207356 -4.115968 -0.418164
H 0.588353 -3.708291 1.267255
H 4.539855 1.195702 1.600863
H -1.098893 -1.814049 1.182550
H -1.481581 -2.238125 -0.498776
H 3.928892 2.410614 -1.181394
H 3.238536 3.257280 1.746367
H 3.747775 4.399806 0.479765
H 1.323729 4.549091 0.686918
H 1.702354 3.823991 -0.889292
H 0.853147 2.256044 1.640406
H 1.234162 1.518261 0.072337
H -1.063561 3.532738 0.590135
H -0.673004 2.829817 -0.993045
H -1.104172 0.509621 -0.067312
H -1.503465 1.215612 1.513293
H -2.282918 -4.539248 0.266288
H -3.203072 -3.228456 1.058626
H -1.921508 -4.092866 1.956769
H -3.040030 1.792085 -1.116891
H -3.445397 2.472769 0.463897
H -3.439444 -0.558068 -0.206371
H -3.831911 0.117806 1.373619
H -7.812917 -1.687324 0.065339
H -7.574011 -0.506222 -1.294360
H -7.976316 0.099946 0.348016


