%chk=000058955.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058955

0 1
 O    5.716100      -1.009200      0.5702000    
 O    4.188000      -2.517900      0.1138000    
 N   -2.225500     -0.6577000     -0.3210000    
 N   0.6041000       2.510600     -0.4398000    
 N    4.539500      -1.323900      0.2701000    
 C   -2.025000     -0.5819000       1.130400    
 C   -3.130000      -1.737000     -0.7310000    
 C   -3.299900     -0.4447000       1.970600    
 C   -4.439400      -1.175200      -1.295400    
 C   -4.172000      0.7704000       1.654800    
 C   -5.344600     -0.4211000     -0.3142000    
 C   -4.747600      0.8749000      0.2392000    
 C  -0.9363000     -0.7511000      -1.006600    
 C  -6.3199997E-02  0.4376000     -0.7259000    
 C    1.306500      0.3935000     -0.4000000    
 C  -0.4804000       1.733700     -0.7473000    
 C    1.709200       1.718900     -0.2228000    
 C    2.257900     -0.6324000     -0.2340000    
 C    3.021100       2.071000      0.1134000    
 C    3.573900     -0.2951000      0.1025000    
 C    3.947500       1.036400      0.2730000    
 H   -1.486800      -1.473900       1.479300    
 H   -1.402900      0.2778000       1.401500    
 H   -2.676400      -2.345700      -1.525200    
 H   -3.335500      -2.448100      7.7799998E-02
 H   -2.995100     -0.3692000       3.023100    
 H   -3.898700      -1.360200       1.917400    
 H   -5.016200      -2.016100      -1.702100    
 H   -4.216100     -0.5242000      -2.151100    
 H   -3.607200       1.686500       1.868600    
 H   -5.011700      0.7642000       2.362100    
 H   -5.674400      -1.085600      0.4920000    
 H   -6.254100     -0.1554000     -0.8695000    
 H   -5.545400       1.628800      0.2780000    
 H   -4.001500       1.287700     -0.4490000    
 H   -1.096200     -0.7781000      -2.093000    
 H  -0.4242000      -1.682700     -0.7353000    
 H   -1.439500       2.188900     -0.9520000    
 H   0.5956000       3.519500     -0.3808000    
 H    1.948700      -1.664500     -0.3719000    
 H    3.312500       3.107500      0.2462000    
 H    4.966000       1.315600      0.5342000    


%chk=000058955-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058955

0 1
O 6.041005 -0.771144 0.138320
O 4.496827 -2.436177 -0.064823
N -2.243465 -0.829254 -0.099595
N 0.590442 2.487797 -0.337923
N 4.822654 -1.185112 -0.000220
C -2.248021 -0.792058 1.384588
C -3.232327 -1.763157 -0.710021
C -3.631625 -0.554467 2.021139
C -4.396528 -1.045329 -1.435397
C -4.340425 0.775246 1.667893
C -5.359872 -0.215873 -0.545926
C -4.702485 1.000133 0.172826
C -0.871556 -0.960020 -0.642749
C -0.039289 0.290998 -0.467880
C 1.405239 0.360010 -0.321182
C -0.497771 1.605158 -0.474790
C 1.770431 1.757057 -0.242577
C 2.420216 -0.619839 -0.241349
C 3.110418 2.185672 -0.095062
C 3.749004 -0.174910 -0.090503
C 4.108781 1.203478 -0.018872
H -1.832225 -1.746830 1.804631
H -1.559150 0.015366 1.700032
H -2.715875 -2.412378 -1.446447
H -3.644216 -2.451824 0.058008
H -3.489814 -0.592876 3.120452
H -4.303250 -1.402068 1.781632
H -4.986776 -1.816439 -1.975259
H -3.961890 -0.378181 -2.206863
H -3.713171 1.623635 2.012701
H -5.274478 0.818966 2.265619
H -5.843477 -0.881241 0.198795
H -6.178291 0.148660 -1.198027
H -5.389098 1.869461 0.125479
H -3.790782 1.279799 -0.385069
H -0.956102 -1.185116 -1.723704
H -0.320399 -1.824651 -0.186496
H -1.520391 1.966927 -0.552520
H 0.520200 3.502689 -0.302696
H 2.215184 -1.692321 -0.291074
H 3.369839 3.247974 -0.040534
H 5.163310 1.464842 0.095743


