%chk=000058965.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058965

0 1
 O    3.548800       2.242500     -0.2571000    
 N   -2.948100       1.311300      0.7764000    
 N    1.190300      -2.702200     -3.9900001E-02
 C   -2.166300      0.1870000      0.2463000    
 C   -3.089300     -0.9553000     -0.1997000    
 C   -4.118600     -0.4693000      -1.216500    
 C   -1.195600     -0.2974000       1.321900    
 C   -4.861500      0.7513000     -0.6843000    
 C   -3.888300       1.831000     -0.2170000    
 C  -4.2800002E-02  -1.057000      0.7256000    
 C    1.178000     -0.4981000      0.3051000    
 C  -2.6000001E-02  -2.400100      0.5114000    
 C    1.946200      -1.559800     -0.1773000    
 C    1.723800      0.8007000      0.2791000    
 C    3.238100      -1.387000     -0.6868000    
 C    3.014900      0.9887000     -0.2277000    
 C    3.758600     -8.9800000E-02 -0.7027000    
 C    2.737900       3.303400      0.2432000    
 H   -1.597800      0.5470000     -0.6227000    
 H   -3.614100      -1.380600      0.6659000    
 H   -2.514100      -1.767800     -0.6555000    
 H   -4.829000      -1.271200      -1.445300    
 H   -3.612100     -0.2096000      -2.154200    
 H   -1.709300     -0.9170000       2.068800    
 H  -0.7829000      0.5548000       1.879100    
 H   -5.517200       1.154800      -1.464000    
 H   -5.505700      0.4503000      0.1516000    
 H   -3.341800       2.246000      -1.072600    
 H   -4.455300       2.654800      0.2300000    
 H   -2.318700       2.060200       1.064100    
 H  -0.7540000      -3.177600      0.6964000    
 H    1.490700      -3.629400     -0.3071000    
 H    1.102000       1.602400      0.6580000    
 H    3.817800      -2.226000      -1.056800    
 H    4.760400      7.2600000E-02  -1.093700    
 H    3.318000       4.226900      0.1448000    
 H    2.520100       3.176600       1.309100    
 H    1.829500       3.433300     -0.3549000    


%chk=000058965-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058965

0 1
O 3.482864 2.188514 -0.568712
N -3.205662 1.084836 1.048390
N 1.260288 -2.873987 0.242681
C -2.159235 0.266498 0.384535
C -2.848146 -0.787855 -0.510336
C -3.813498 -0.123535 -1.519895
C -1.263862 -0.383562 1.476481
C -4.834544 0.779310 -0.788437
C -4.098400 1.799108 0.106423
C -0.088118 -1.153143 0.928576
C 1.137399 -0.596720 0.377987
C 0.030639 -2.541566 0.828777
C 1.962475 -1.695343 -0.043592
C 1.609706 0.737020 0.218143
C 3.236913 -1.496204 -0.621980
C 2.883467 0.928006 -0.353660
C 3.689169 -0.175809 -0.773645
C 2.722902 3.364620 -0.153421
H -1.506976 0.895295 -0.278185
H -3.415085 -1.478478 0.146827
H -2.077422 -1.378849 -1.038942
H -4.336604 -0.895099 -2.116849
H -3.227668 0.491620 -2.234948
H -1.909459 -1.038953 2.091266
H -0.898491 0.420906 2.151230
H -5.475803 1.315360 -1.514857
H -5.490481 0.156517 -0.149797
H -3.539050 2.509274 -0.557336
H -4.826112 2.392698 0.690951
H -2.802351 1.714351 1.756497
H -0.673414 -3.313328 1.135610
H 1.594996 -3.818132 0.067288
H 0.991452 1.580381 0.539221
H 3.862667 -2.335689 -0.944485
H 4.666955 0.041967 -1.213472
H 3.361755 4.225964 -0.399627
H 2.519433 3.351361 0.936267
H 1.763900 3.443046 -0.703974


