%chk=000115914.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115914

0 1
 O   -5.897900      -2.063500      -1.019600    
 N   0.1156000      0.2556000     -0.3142000    
 N    7.880800      3.6400001E-02  0.7005000    
 C   -2.100100       1.014400     -0.4052000    
 C   -1.587600      0.8814000      -1.860300    
 C  -0.7616000       1.232600      0.3327000    
 C  -0.1494000      0.3637000      -1.749500    
 C   -2.986300       2.260100     -0.2265000    
 C   -2.904400     -0.2322000      7.6000001E-03
 C    1.518200      0.4482000      1.7700000E-02
 C   -3.397400       2.434900       1.229400    
 C    2.388600     -0.6243000     -0.6383000    
 C   -4.050200     -0.5863000     -0.7020000    
 C   -2.483800      -1.003000       1.089600    
 C   -4.293200       3.651000       1.401600    
 C   -4.778300      -1.715700     -0.3281000    
 C   -3.212100      -2.132300       1.463500    
 C    3.843800     -0.4492000     -0.2837000    
 C   -4.359400      -2.488700      0.7546000    
 C    4.650200      0.3413000      -1.088300    
 C    4.351300      -1.081600      0.8411000    
 C    5.996200      0.5034000     -0.7602000    
 C    5.697300     -0.9194000       1.169200    
 C    6.519800     -0.1270000      0.3685000    
 H   -1.568300       1.862300      -2.352800    
 H   -2.191200      0.2193000      -2.489000    
 H  -0.3880000       2.251400      0.1531000    
 H  -0.8049000       1.097900       1.417000    
 H  -5.4900002E-02 -0.6133000      -2.235100    
 H   0.5219000       1.069000      -2.255500    
 H   -3.880300       2.200500     -0.8599000    
 H   -2.446900       3.157900     -0.5570000    
 H    1.861600       1.448100     -0.2806000    
 H    1.640600      0.3876000       1.107000    
 H   -2.520200       2.565900       1.871600    
 H   -3.947600       1.565300       1.602100    
 H    2.297000     -0.6063000      -1.731500    
 H    2.055700      -1.624500     -0.3295000    
 H   -4.390500      4.9000001E-03  -1.548000    
 H   -1.603900     -0.7770000       1.679200    
 H   -3.780000       4.565200       1.086100    
 H   -5.210400       3.550300      0.8126000    
 H   -4.576800       3.767600       2.452400    
 H   -2.886700      -2.734600       2.306800    
 H   -4.917800      -3.370800       1.056200    
 H    4.251200      0.8382000      -1.968100    
 H    3.718300      -1.699100       1.471900    
 H   -6.274800      -2.868500     -0.6245000    
 H    6.626800       1.124000      -1.391800    
 H    6.093300      -1.415600       2.051600    
 H    8.260800     -0.4213000       1.518400    
 H    8.478100      0.6103000      0.1202000    


%chk=000115914-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115914

0 1
O -6.422241 -1.515325 -0.512968
N 0.144181 0.197486 -0.312632
N 8.036923 0.333971 0.703255
C -2.140090 0.995402 -0.375421
C -1.594126 0.905634 -1.847760
C -0.800931 1.082373 0.412533
C -0.274804 0.096769 -1.743684
C -2.972963 2.294344 -0.174440
C -2.947816 -0.283768 -0.050907
C 1.572340 0.441777 -0.060511
C -3.454796 2.544293 1.273196
C 2.462775 -0.772410 -0.441970
C -4.322062 -0.362238 -0.389644
C -2.332881 -1.426662 0.531305
C -4.312451 3.822466 1.392477
C -5.060388 -1.539228 -0.143114
C -3.079916 -2.598350 0.777206
C 3.933876 -0.515092 -0.156674
C -4.451238 -2.670853 0.446516
C 4.764575 0.144118 -1.099484
C 4.518827 -0.879803 1.083286
C 6.117297 0.429014 -0.825882
C 5.869403 -0.604404 1.377123
C 6.694163 0.058724 0.423190
H -1.386959 1.930751 -2.211083
H -2.324714 0.443313 -2.533065
H -0.460668 2.148458 0.418810
H -0.903594 0.760571 1.466263
H -0.426293 -0.962744 -2.027831
H 0.501611 0.517821 -2.420426
H -3.850336 2.294140 -0.851897
H -2.345998 3.151454 -0.497432
H 1.945529 1.345841 -0.610153
H 1.705605 0.650166 1.018532
H -2.576980 2.627501 1.944714
H -4.038036 1.671582 1.623790
H 2.315476 -0.998191 -1.516209
H 2.097482 -1.650373 0.123393
H -4.852656 0.479090 -0.845328
H -1.260149 -1.398448 0.748613
H -3.748899 4.714985 1.059247
H -5.222484 3.748317 0.767204
H -4.634592 3.996734 2.435572
H -2.589222 -3.469367 1.226407
H -5.028298 -3.585030 0.638938
H 4.346819 0.433181 -2.072704
H 3.905697 -1.396216 1.833343
H -6.854509 -2.379287 -0.300317
H 6.734828 0.935209 -1.578865
H 6.293180 -0.905756 2.343622
H 8.447743 0.068911 1.593031
H 8.624960 0.803651 0.021835


