%chk=000056499.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056499

0 1
 O   0.2063000      -1.341400      0.2902000    
 O    2.866300     -0.4532000      -1.961500    
 O   0.5370000      -1.711600      -1.959100    
 N   -4.698400      0.1514000      0.6246000    
 C   -2.139100      -1.088800     -8.7499999E-02
 C   -2.256200     -4.0000002E-03  0.9888000    
 C   -3.476700      -1.822600     -0.2305000    
 C   -3.448700      0.9172000      0.7230000    
 C   -4.628500     -0.8410000     -0.4563000    
 C   -1.010400      -2.063400      0.2366000    
 C   -5.834700       1.050000      0.4220000    
 C   0.9002000      -1.232900     -0.8910000    
 C    2.186100     -0.4291000     -0.7033000    
 C    1.850900       1.022800     -0.3672000    
 C    3.063000      -1.093800      0.2834000    
 C    2.372700       1.572800      0.7826000    
 C    1.039500       1.730300      -1.226100    
 C    2.067000       2.898700       1.089600    
 C   0.7339000       3.056200     -0.9191000    
 C    1.247700       3.640400      0.2387000    
 C    3.777600      -1.644400       1.077000    
 C    4.644500      -2.313800       2.045200    
 H   -1.913100     -0.5880000      -1.038800    
 H   -1.343300      0.6019000       1.024400    
 H   -2.368700     -0.4667000       1.978200    
 H   -3.676700      -2.417600      0.6704000    
 H   -3.428900      -2.525200      -1.071200    
 H   -3.516800       1.633400       1.551000    
 H   -3.269900       1.495300     -0.1934000    
 H   -4.508100     -0.3502000      -1.431200    
 H   -5.562500      -1.414700     -0.4941000    
 H  -0.9640000      -2.885000     -0.4883000    
 H   -1.165300      -2.522800       1.219600    
 H   -6.772900      0.4846000      0.3982000    
 H   -5.751200       1.619700     -0.5106000    
 H   -5.917500       1.759000       1.253200    
 H    3.012600       1.043800       1.478100    
 H   0.6247000       1.292100      -2.128400    
 H    2.338700      1.8900000E-02  -2.626600    
 H    2.466200       3.354300       1.991100    
 H   9.4200000E-02   3.633300      -1.580400    
 H    1.009000       4.672600      0.4780000    
 H    4.933100      -1.628400       2.847900    
 H    5.557700      -2.676800       1.564200    
 H    4.135100      -3.170300       2.496900    


%chk=000056499-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056499

0 1
O 0.271771 -1.326567 0.297346
O 2.863946 -0.344901 -2.101597
O 0.641566 -1.836633 -1.949497
N -4.732870 0.249860 0.590381
C -2.181780 -1.069049 -0.067746
C -2.267378 0.112554 0.926977
C -3.534335 -1.825346 -0.096764
C -3.465764 1.020964 0.593474
C -4.694108 -0.853738 -0.396726
C -1.048613 -2.043515 0.281253
C -5.914199 1.114982 0.409599
C 0.968698 -1.268819 -0.877403
C 2.275649 -0.403795 -0.758352
C 1.887662 1.029921 -0.333724
C 3.192460 -1.069262 0.190655
C 1.865160 1.411124 1.027927
C 1.495188 1.956207 -1.328564
C 1.448251 2.710432 1.393185
C 1.079176 3.255470 -0.961293
C 1.051302 3.636585 0.400317
C 3.983885 -1.635839 0.947299
C 4.938794 -2.306667 1.840039
H -1.989295 -0.665937 -1.084377
H -1.333213 0.703364 0.907396
H -2.396787 -0.283597 1.953970
H -3.716092 -2.299815 0.887885
H -3.518242 -2.624504 -0.863809
H -3.549711 1.825421 1.347907
H -3.288673 1.515538 -0.399756
H -4.579934 -0.461650 -1.443901
H -5.657982 -1.394982 -0.353293
H -0.985099 -2.875445 -0.443158
H -1.142969 -2.428623 1.310318
H -6.835710 0.510377 0.490065
H -5.932183 1.641649 -0.579195
H -5.938460 1.882367 1.204072
H 2.174493 0.693075 1.794444
H 1.550019 1.660102 -2.380080
H 2.475598 -1.102797 -2.623340
H 1.437361 3.000950 2.449815
H 0.785414 3.971323 -1.737341
H 0.731159 4.645552 0.684302
H 5.280899 -1.626917 2.641793
H 5.831214 -2.641473 1.280058
H 4.486135 -3.194946 2.317738


