%chk=000058793.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058793

0 1
 O    2.951600     -0.6263000      -1.593900    
 O   0.2615000       1.465900     -0.4445000    
 O    1.573900       1.527600      -2.338000    
 N   -4.128700     -0.5014000      0.4178000    
 C    2.738700      0.2795000      0.5840000    
 C    3.638000     -0.8021000       1.174200    
 C    3.729000       1.402400      0.2922000    
 C    1.976200     -0.1811000     -0.6460000    
 C    4.614400     -3.1700000E-02   2.057900    
 C    4.663700       1.390700       1.497300    
 C    1.003800      -1.334700     -0.4383000    
 C    1.270500       1.026700      -1.262000    
 C   0.3232000      -1.425000      0.7582000    
 C   0.8342000      -2.253500      -1.453000    
 C  -0.4702000       2.592200     -0.9106000    
 C   -1.548000       2.957900      9.8399997E-02
 C   -2.539200       1.852100      0.2937000    
 C   -3.289000       1.385600     -0.9282000    
 C   -4.495100      0.4947000     -0.5946000    
 C  -0.5672000      -2.481800      0.9483000    
 C  -5.6200001E-02  -3.310300      -1.263000    
 C   -3.739700      0.1554000       1.676800    
 C   -2.768700       1.288400       1.491200    
 C  -0.7568000      -3.424400     -6.2399998E-02
 C   -5.220000      -1.446800      0.6444000    
 H    2.060400      0.6472000       1.365600    
 H    4.215100      -1.337300      0.4128000    
 H    3.085200      -1.547400       1.753900    
 H    4.313700       1.211700     -0.6154000    
 H    3.243700       2.377000      0.1774000    
 H    5.603400     -0.5010000       2.062700    
 H    4.257000     -9.7000003E-03   3.093900    
 H    4.315500       2.100200       2.257000    
 H    5.680600       1.683400       1.217200    
 H    3.215500      -1.540800      -1.398300    
 H   0.4300000     -0.7009000       1.557400    
 H    1.340500      -2.180600      -2.410300    
 H   0.2161000       3.441400      -1.015000    
 H  -0.8993000       2.380500      -1.896800    
 H   -2.073800       3.859500     -0.2373000    
 H   -1.068000       3.205600       1.053700    
 H   -3.644100       2.249600      -1.502300    
 H   -2.603000      0.8207000      -1.571700    
 H   -4.821000      6.9999998E-04  -1.518300    
 H   -5.332700       1.114500     -0.2464000    
 H   -1.118100      -2.567200       1.880400    
 H  -0.2098000      -4.040400      -2.052300    
 H   -3.267200     -0.5912000       2.326400    
 H   -4.617300      0.5459000       2.208400    
 H   -2.245400       1.642300       2.374900    
 H   -1.453000      -4.245000      8.4299996E-02
 H   -5.462900      -1.981400     -0.2805000    
 H   -4.924400      -2.205600       1.377500    
 H   -6.128900     -0.9525000       1.005600    


%chk=000058793-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058793

0 1
O 3.300470 -0.425555 -1.596765
O 0.421199 1.603458 -0.816707
O 1.582466 1.320718 -2.815991
N -3.746738 -0.365430 1.156460
C 2.378764 0.241596 0.617506
C 3.073896 -0.866668 1.457137
C 3.318005 1.486908 0.734534
C 2.060256 -0.164066 -0.856474
C 3.699221 -0.069250 2.626792
C 4.280236 1.194560 1.932248
C 1.094264 -1.375730 -0.935522
C 1.382343 0.993713 -1.632030
C -0.111924 -1.399238 -0.188089
C 1.390621 -2.462511 -1.794275
C -0.483901 2.581585 -1.479827
C -1.496282 3.045279 -0.422455
C -2.345347 1.928299 0.166793
C -3.120445 1.038672 -0.793794
C -4.257173 0.286658 -0.073868
C -0.992178 -2.498764 -0.280299
C 0.515498 -3.570221 -1.875867
C -3.260220 0.627722 2.143046
C -2.430536 1.724131 1.507791
C -0.676617 -3.595233 -1.116874
C -4.717630 -1.299916 1.756272
H 1.417929 0.478334 1.107376
H 3.891697 -1.359183 0.886173
H 2.375147 -1.657824 1.779063
H 3.887281 1.627040 -0.201968
H 2.722052 2.401382 0.900814
H 4.461227 -0.643719 3.183549
H 2.906145 0.217612 3.345039
H 4.366132 2.050412 2.625267
H 5.298375 0.976757 1.557682
H 3.802054 -1.115147 -1.089825
H -0.390636 -0.550171 0.444665
H 2.291815 -2.421202 -2.414114
H 0.119309 3.423546 -1.864917
H -0.964648 2.080733 -2.340162
H -2.150735 3.790712 -0.924273
H -0.957994 3.577885 0.383375
H -3.545258 1.645496 -1.620195
H -2.433431 0.302660 -1.256816
H -4.671743 -0.497257 -0.734425
H -5.088770 1.002284 0.158682
H -1.927584 -2.470208 0.290327
H 0.759913 -4.405149 -2.542743
H -2.654594 0.094927 2.904364
H -4.113915 1.101406 2.702979
H -1.879186 2.375023 2.200297
H -1.357965 -4.450935 -1.187835
H -4.991301 -2.078167 1.021671
H -4.262494 -1.798981 2.631267
H -5.659372 -0.799784 2.099337


