%chk=000026657.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026657

0 1
 O    2.392300      -1.021400       1.635700    
 N    1.351800      -1.123100     -0.4380000    
 N    1.221200       3.576300     -0.1251000    
 C   0.3239000      -2.072400     -7.8800000E-02
 C  -0.9531000      -1.848800     -0.9041000    
 C   -1.773300     -0.6783000     -0.4160000    
 C   0.8468000      -3.492900     -0.2683000    
 C    3.244000      0.3393000     -0.1783000    
 C    2.308800     -0.6741000      0.4607000    
 C    2.534700       1.588400     -0.7013000    
 C    1.864800       2.385800      0.4193000    
 C   -2.749800     -0.8875000      0.5444000    
 C   -1.534200      0.5827000     -0.9379000    
 C   -3.507400      0.1934000      0.9952000    
 C   -2.292000       1.663600     -0.4871000    
 C   -3.278600       1.469000      0.4795000    
 H   0.1001000      -1.944700      0.9882000    
 H   -1.586400      -2.745500     -0.8612000    
 H  -0.7124000      -1.714900      -1.967400    
 H    1.420900     -0.8474000      -1.413100    
 H   9.8300003E-02  -4.231000      3.8199998E-02
 H    1.749100      -3.663300      0.3292000    
 H    1.105600      -3.682700      -1.316000    
 H    4.003300      0.6182000      0.5615000    
 H    3.767400     -0.1586000      -1.003300    
 H    1.793000       1.320500      -1.462600    
 H    3.278500       2.221500      -1.201900    
 H    1.111400       1.777800      0.9308000    
 H    2.609900       2.689800       1.162200    
 H   -2.934000      -1.876500      0.9542000    
 H  -0.7701000      0.7451000      -1.692300    
 H   -4.275200      4.1999999E-02   1.748300    
 H   -2.113800       2.656800     -0.8888000    
 H   -3.868300       2.310700      0.8307000    
 H   0.7330000       4.067800      0.6224000    
 H   0.5081000       3.302600     -0.8000000    


%chk=000026657-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000026657

0 1
O 2.665906 -1.421613 1.333367
N 1.268037 -1.170315 -0.501657
N 0.675061 3.315949 0.688311
C 0.349748 -2.256527 -0.097170
C -1.023598 -2.063477 -0.799669
C -1.654105 -0.696238 -0.565138
C 0.952324 -3.647026 -0.396231
C 3.111580 0.446727 -0.222494
C 2.346542 -0.786376 0.278655
C 2.230365 1.712919 -0.391326
C 1.578231 2.170528 0.930869
C -2.027524 -0.281687 0.740951
C -1.869004 0.200762 -1.642889
C -2.595237 0.991511 0.962268
C -2.437393 1.478764 -1.427295
C -2.801475 1.879452 -0.121612
H 0.221922 -2.170738 1.000159
H -1.692399 -2.864640 -0.430316
H -0.895867 -2.237699 -1.886870
H 1.007599 -0.590001 -1.301639
H 0.281290 -4.448879 -0.035317
H 1.922304 -3.747997 0.117949
H 1.109248 -3.784698 -1.482120
H 3.911904 0.636517 0.513581
H 3.600947 0.204394 -1.186925
H 1.430364 1.535598 -1.141152
H 2.841199 2.544768 -0.788084
H 1.073329 1.297037 1.408027
H 2.374436 2.495878 1.627383
H -1.872880 -0.960534 1.588785
H -1.602661 -0.108123 -2.662276
H -2.881169 1.291871 1.976655
H -2.599931 2.153701 -2.275245
H -3.252174 2.863612 0.049114
H 0.441827 3.849384 1.531856
H -0.170447 3.055394 0.166494


