%chk=000064890.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064890

0 1
 O  -0.3157000       2.662200      -1.661100    
 O    1.087200      0.9117000       1.591600    
 O    3.757400       1.260300       1.486100    
 N   0.2154000      0.3115000     -0.4583000    
 N   -1.786800       3.275900      1.8200001E-02
 C   -1.094000      0.8870000     -0.2484000    
 C   -2.163900      0.1450000      -1.058900    
 C   -2.570500      -1.166600     -0.4317000    
 C   -1.013100       2.349800     -0.6897000    
 C    1.245500      0.3638000      0.5010000    
 C   -1.887400      -2.323400     -0.7730000    
 C   -3.618800      -1.190500      0.4745000    
 C    2.511200     -0.2939000      0.1500000    
 C   -1.833600       4.690400     -0.3334000    
 C   -2.608800       2.899100       1.165500    
 C   -2.262700      -3.535300     -0.1935000    
 C   -3.994000      -2.402600       1.054100    
 C   -3.315900      -3.574900      0.7202000    
 C    3.714200      0.1801000      0.6560000    
 C    2.477700      -1.394600     -0.6964000    
 C    4.905300     -0.4581000      0.3097000    
 C    3.668800      -2.032500      -1.042800    
 C    4.882500      -1.564200     -0.5399000    
 H   -1.299500      0.8214000      0.8234000    
 H   -1.820400     -3.0300001E-02  -2.087900    
 H   -3.059900      0.7710000      -1.167300    
 H   0.4162000     -5.5300001E-02  -1.383400    
 H   -1.067400      -2.304200      -1.484900    
 H   -4.154300     -0.2845000      0.7415000    
 H   -1.175600       4.907000      -1.178600    
 H   -1.512900       5.280400      0.5300000    
 H   -2.860100       4.954000     -0.6045000    
 H   -1.950400       2.704400       2.017000    
 H   -3.194500       2.006100      0.9403000    
 H   -3.300200       3.707300       1.422600    
 H   -1.735000      -4.448200     -0.4537000    
 H   -4.814100      -2.433600       1.765500    
 H   -3.608100      -4.518600       1.171500    
 H    1.551000      -1.805900      -1.085000    
 H    5.858200     -0.1044000      0.6941000    
 H    3.651000      -2.898000      -1.698800    
 H    5.809800      -2.061900     -0.8085000    
 H    4.682100       1.436300       1.730700    


%chk=000064890-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000064890

0 1
O -1.697376 2.568777 -2.236426
O 0.168278 0.688293 1.937523
O 3.082134 1.512176 1.585217
N -0.173476 0.559141 -0.361815
N -1.553401 3.581167 -0.141793
C -1.559744 1.059460 -0.319066
C -2.525449 0.114832 -1.081558
C -2.439727 -1.350060 -0.668877
C -1.613494 2.470476 -0.965982
C 0.586748 0.364490 0.780093
C -2.508822 -2.362078 -1.660950
C -2.326138 -1.747441 0.689963
C 1.910049 -0.314952 0.534320
C -1.646211 4.919432 -0.756529
C -1.385621 3.565221 1.326138
C -2.476831 -3.731833 -1.311697
C -2.290708 -3.114602 1.043359
C -2.368477 -4.113866 0.045052
C 3.132492 0.240252 0.999830
C 1.938490 -1.577335 -0.110071
C 4.349953 -0.461964 0.828847
C 3.149096 -2.284737 -0.281905
C 4.355293 -1.722615 0.193502
H -1.829452 1.100154 0.747242
H -2.335849 0.228234 -2.164374
H -3.554133 0.494745 -0.914808
H 0.232893 0.354636 -1.277610
H -2.591773 -2.072300 -2.716055
H -2.251858 -0.991543 1.480788
H -1.852455 4.798406 -1.830385
H -0.696183 5.472868 -0.628535
H -2.459626 5.499737 -0.281486
H -0.936216 2.625395 1.684366
H -2.352586 3.733512 1.841250
H -0.699431 4.383351 1.611762
H -2.535445 -4.496163 -2.095171
H -2.197984 -3.399086 2.097597
H -2.342332 -5.174063 0.321001
H 0.993606 -2.019217 -0.447631
H 5.290404 -0.021633 1.185475
H 3.148211 -3.263929 -0.770581
H 5.301542 -2.260406 0.069951
H 3.977506 1.788269 1.903828


