%chk=000059634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059634

2 1
 O    5.461800      0.7744000      0.6963000    
 N   -3.503300      0.8748000      0.1984000    
 N  -0.8023000     -0.1627000     -0.4261000    
 N    2.962900     -0.3831000     -0.1727000    
 C   -2.614700      0.2247000       1.280400    
 C   -3.199500      0.1538000      -1.132300    
 C   -1.126300      0.3849000      0.8947000    
 C   -1.702000      0.3156000      -1.480100    
 C   -3.004100      -1.256400       1.460800    
 C   -3.607800      -1.329800      -1.032100    
 C   -3.026700      -2.075800      0.1698000    
 C   -4.999700      0.7913000      0.5636000    
 C   -3.238800       2.392000      8.9900002E-02
 C   0.5959000      7.6399997E-02 -0.7721000    
 C    1.503600     -0.6061000      0.2372000    
 C    3.869000      -1.044400      0.8721000    
 C    3.236600       1.125000     -0.1992000    
 C    3.150500      -1.009900      -1.552900    
 C    5.320100     -0.6437000      0.6566000    
 C    4.724800       1.399000     -0.3521000    
 H   -2.807900      0.7670000       2.214400    
 H   -3.805700      0.6456000      -1.903300    
 H  -0.8281000       1.437300      0.9699000    
 H  -0.5698000     -0.1433000       1.676200    
 H   -1.508200     -0.2551000      -2.398000    
 H   -1.486800       1.360600      -1.733100    
 H   -3.987300      -1.321300       1.941100    
 H   -2.315400      -1.732800       2.170100    
 H   -3.312000      -1.853400      -1.950200    
 H   -4.700900      -1.408700      -1.005900    
 H   -2.008900      -2.407500     -6.6799998E-02
 H   -3.595200      -2.999300      0.3347000    
 H   -5.316600     -0.2456000      0.6698000    
 H   -5.148500       1.318300       1.511100    
 H   -5.572400       1.268700     -0.2375000    
 H   -3.470300       2.847700       1.057600    
 H   -2.198100       2.587600     -0.1649000    
 H   -3.889700       2.795800     -0.6917000    
 H   0.7556000       1.157200     -0.8232000    
 H   0.7480000     -0.3341000      -1.773700    
 H    1.332300      -1.688700      0.2828000    
 H    1.414600     -0.1901000       1.245000    
 H    3.729000      -2.128400      0.8035000    
 H    3.528200     -0.6921000       1.852700    
 H    2.870600       1.534900      0.7492000    
 H    2.708900       1.578900      -1.041500    
 H    4.217600      -1.104300      -1.763500    
 H    2.694900      -2.004500      -1.556300    
 H    2.715700     -0.3633000      -2.319100    
 H    5.741800      -1.033700     -0.2751000    
 H    5.928500      -1.052800       1.470200    
 H    4.906200       2.476700     -0.2847000    
 H    5.110100       1.067700      -1.323100    


%chk=000059634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059634

2 1
O 5.595414 0.107372 1.038713
N -3.702852 0.825173 0.121122
N -0.842441 0.185786 -0.411516
N 3.014668 -0.338818 -0.353164
C -2.689576 0.526314 1.279299
C -3.263224 -0.085141 -1.077562
C -1.256806 0.901399 0.820624
C -1.829423 0.303081 -1.516821
C -2.840486 -0.943887 1.743422
C -3.427468 -1.577340 -0.695805
C -2.689290 -1.987880 0.605562
C -5.143476 0.523584 0.550139
C -3.698984 2.306632 -0.264047
C 0.554525 0.456971 -0.830684
C 1.501988 -0.496096 -0.059162
C 3.750858 -1.432387 0.482905
C 3.515283 1.055039 0.114425
C 3.286671 -0.549571 -1.842051
C 5.273362 -1.223374 0.519020
C 5.051484 1.136053 0.152213
H -2.971684 1.207637 2.104170
H -3.950786 0.162903 -1.908135
H -1.159428 2.009245 0.715899
H -0.590397 0.618206 1.655797
H -1.550074 -0.403298 -2.319193
H -1.830250 1.316812 -1.982378
H -3.804247 -1.066670 2.268469
H -2.070559 -1.120427 2.516937
H -3.042996 -2.171780 -1.544705
H -4.501836 -1.826062 -0.636810
H -1.619618 -2.122537 0.381782
H -3.077956 -2.961546 0.952315
H -5.260708 -0.523443 0.844291
H -5.397197 1.174152 1.401629
H -5.811727 0.743157 -0.297154
H -4.031497 2.895747 0.604681
H -2.701086 2.638936 -0.567618
H -4.401624 2.453864 -1.098987
H 0.833929 1.523519 -0.666305
H 0.627344 0.261876 -1.914676
H 1.240851 -1.540534 -0.302213
H 1.390506 -0.356459 1.030009
H 3.480424 -2.411725 0.051034
H 3.346370 -1.355270 1.506231
H 3.114535 1.198202 1.132685
H 3.092439 1.814070 -0.564321
H 4.368245 -0.627277 -2.014971
H 2.798627 -1.482151 -2.165068
H 2.893355 0.303206 -2.414322
H 5.752159 -1.387175 -0.468508
H 5.709761 -1.943067 1.229861
H 5.344183 2.103506 0.590144
H 5.500917 1.066469 -0.860303


