%chk=000116286.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116286

2 1
 O    5.561000      -1.518600      0.3903000    
 O   -5.561000       1.518600      0.3903000    
 O   1.9999999E-04   0.000000      0.5441000    
 N    3.618300      0.5277000     -0.2251000    
 N   -3.618300     -0.5277000     -0.2251000    
 C    3.875400     -0.6785000      -1.135800    
 C    4.862300      0.7900000      0.6314000    
 C   -4.862200     -0.7900000      0.6314000    
 C   -3.875500      0.6784000      -1.135900    
 C    2.376800      0.3206000      0.6400000    
 C   -2.376800     -0.3205000      0.6399000    
 C    3.364500       1.756300      -1.104400    
 C   -3.364500      -1.756400      -1.104300    
 C    4.379300      -1.864700     -0.3283000    
 C    5.308500     -0.4818000       1.335700    
 C   -5.308600      0.4818000       1.335800    
 C   -4.379300       1.864700     -0.3283000    
 C    1.164500      0.1570000     -0.2554000    
 C   -1.164500     -0.1571000     -0.2555000    
 C    3.108600       2.957300     -0.2204000    
 C   -3.108600      -2.957300     -0.2203000    
 H    2.997300     -0.9097000      -1.739300    
 H    4.669900     -0.3632000      -1.824800    
 H    5.649800       1.145100     -4.3099999E-02
 H    4.632600       1.548800       1.383500    
 H   -5.649800      -1.145200     -4.3099999E-02
 H   -4.632600      -1.548800       1.383500    
 H   -2.997400      0.9095000      -1.739400    
 H   -4.670100      0.3630000      -1.824800    
 H    2.273400       1.135600       1.362700    
 H    2.513900     -0.5841000       1.240400    
 H   -2.273200      -1.135400       1.362700    
 H   -2.513800      0.5842000       1.240300    
 H    4.282200       1.925500      -1.682500    
 H    2.580000       1.559700      -1.838500    
 H   -4.282200      -1.925600      -1.682500    
 H   -2.580000      -1.559800      -1.838500    
 H    3.625600      -2.261900      0.3594000    
 H    4.643800      -2.678200      -1.011900    
 H    4.583700     -0.8274000       2.080800    
 H    6.245700     -0.2907000       1.869000    
 H   -4.583700      0.8274000       2.080900    
 H   -6.245600      0.2908000       1.869000    
 H   -4.643900       2.678200      -1.012100    
 H   -3.625500       2.261900      0.3593000    
 H   0.9790000       1.030100     -0.8820000    
 H    1.238600     -0.7313000     -0.8857000    
 H  -0.9791000      -1.030200     -0.8820000    
 H   -1.238600      0.7313000     -0.8858000    
 H    3.928000       3.207800      0.4558000    
 H    2.172800       2.907500      0.3407000    
 H    3.000600       3.833600     -0.8726000    
 H   -2.172900      -2.907400      0.3410000    
 H   -3.928100      -3.207800      0.4559000    
 H   -3.000600      -3.833600     -0.8725000    


%chk=000116286-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116286

2 1
O 5.429168 -1.531900 1.037235
O -5.429096 1.531965 1.037173
O 0.000008 -0.000055 0.016767
N 3.737976 0.582267 -0.203278
N -3.737969 -0.582300 -0.203260
C 4.280026 -0.660285 -0.963524
C 4.678671 0.825212 1.014363
C -4.678674 -0.825169 1.014392
C -4.279980 0.660238 -0.963554
C 2.301772 0.379233 0.303376
C -2.301762 -0.379282 0.303389
C 3.837118 1.800344 -1.170976
C -3.837150 -1.800414 -1.170906
C 4.496193 -1.868606 -0.038856
C 4.890924 -0.443987 1.856396
C -4.890884 0.444069 1.856376
C -4.496110 1.868601 -0.038932
C 1.218693 0.210918 -0.781202
C -1.218693 -0.210937 -0.781195
C 3.343615 3.132954 -0.599581
C -3.343761 -3.133032 -0.599429
H 3.587527 -0.886780 -1.791121
H 5.250100 -0.350066 -1.387495
H 5.642593 1.151557 0.588434
H 4.248969 1.640602 1.618459
H -5.642606 -1.151497 0.588476
H -4.248999 -1.640551 1.618517
H -3.587470 0.886681 -1.791157
H -5.250062 0.350032 -1.387517
H 2.052183 1.251601 0.927843
H 2.291103 -0.510726 0.950388
H -2.052167 -1.251665 0.927832
H -2.291089 0.510661 0.950422
H 4.904071 1.868383 -1.445235
H 3.277441 1.517122 -2.079510
H -4.904096 -1.868395 -1.445203
H -3.277420 -1.517272 -2.079432
H 3.543879 -2.264072 0.373920
H 4.978579 -2.673485 -0.616092
H 3.967029 -0.766295 2.380636
H 5.656653 -0.233049 2.619850
H -3.966977 0.766369 2.380602
H -5.656618 0.233185 2.619841
H -4.978469 2.673473 -0.616198
H -3.543784 2.264051 0.373830
H 1.109889 1.116127 -1.412487
H 1.404129 -0.666666 -1.434150
H -1.109929 -1.116110 -1.412540
H -1.404111 0.666694 -1.434087
H 3.915701 3.459665 0.284086
H 2.268036 3.135580 -0.353173
H 3.496234 3.904393 -1.375024
H -2.268190 -3.135726 -0.352991
H -3.915896 -3.459655 0.284239
H -3.496417 -3.904499 -1.374837


