%chk=000093590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093590

0 1
 O  -0.6114000     -1.0600000E-02   1.429300    
 N   -2.025100      0.3523000     -0.3842000    
 C    1.458200     -0.8718000     -0.3407000    
 C   0.3268000      8.0899999E-02 -0.7682000    
 C    2.290700     -0.3079000      0.8190000    
 C    1.682800       2.055500      0.1369000    
 C   0.8450000       1.501100      -1.026500    
 C    2.815400       1.091600      0.5071000    
 C   0.9485000      -2.276300     -1.1600000E-02
 C  -0.8004000      0.1394000      0.2250000    
 C    2.243300       3.433300     -0.2148000    
 C   9.3199998E-02  -2.815200      -1.154700    
 C    2.117000      -3.214600      0.2766000    
 C   -3.269400      0.4265000      0.3469000    
 C   -3.875600     -0.9621000      0.5025000    
 C   -4.239000       1.378100     -0.3429000    
 H    2.136900     -0.9533000      -1.203800    
 H  -7.5099997E-02 -0.2714000      -1.727200    
 H    3.171100     -0.9334000       1.001600    
 H    1.729200     -0.2934000       1.758400    
 H    1.032500       2.178400       1.012500    
 H    1.460600       1.486600      -1.936100    
 H   8.9999996E-03   2.182500      -1.229700    
 H    3.362200       1.474100       1.377400    
 H    3.537700       1.031100     -0.3173000    
 H   0.3257000      -2.265800      0.8904000    
 H    2.908200       3.383600      -1.083700    
 H    1.434100       4.133600     -0.4469000    
 H    2.813100       3.846100      0.6243000    
 H   0.6155000      -2.746200      -2.115100    
 H  -0.1481000      -3.871400     -0.9883000    
 H  -0.8650000      -2.295400      -1.240400    
 H    2.868800      -3.180900     -0.5193000    
 H    1.768700      -4.250700      0.3566000    
 H    2.604600      -2.983000       1.228100    
 H   -2.071400      0.4101000      -1.397400    
 H   -3.051400      0.8198000       1.347300    
 H   -3.187200      -1.633700       1.027300    
 H   -4.092500      -1.411800     -0.4730000    
 H   -4.808200     -0.9207000       1.074700    
 H   -4.485900       1.032200      -1.352900    
 H   -5.171100       1.467100      0.2247000    
 H   -3.801000       2.378000     -0.4351000    


%chk=000093590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000093590

0 1
O -0.700516 0.315604 1.440573
N -2.067810 0.282370 -0.431506
C 1.475409 -0.859239 -0.356767
C 0.367304 0.152142 -0.802760
C 2.301775 -0.301224 0.835226
C 1.754649 2.118470 0.182081
C 0.969773 1.573931 -1.034397
C 2.866783 1.110902 0.557235
C 0.919412 -2.294581 -0.078821
C -0.819417 0.239336 0.174322
C 2.328992 3.519547 -0.114188
C 0.060822 -2.834464 -1.251562
C 2.061194 -3.301079 0.214303
C -3.326921 0.418936 0.335968
C -3.875655 -0.966868 0.751832
C -4.349997 1.229867 -0.484981
H 2.165073 -0.940708 -1.230449
H -0.029852 -0.191451 -1.780049
H 3.141887 -0.986272 1.054149
H 1.650932 -0.266518 1.728518
H 1.057223 2.188095 1.040845
H 1.663677 1.512412 -1.900582
H 0.163790 2.280650 -1.318466
H 3.416549 1.473591 1.448446
H 3.602549 1.065260 -0.275833
H 0.275479 -2.233489 0.823248
H 3.033696 3.484548 -0.968702
H 1.528840 4.241864 -0.365119
H 2.880408 3.915979 0.759133
H 0.632947 -2.819449 -2.200572
H -0.238759 -3.881480 -1.058583
H -0.866699 -2.251858 -1.396583
H 2.782172 -3.331645 -0.626692
H 1.653751 -4.321025 0.345158
H 2.619379 -3.048150 1.132001
H -2.130954 0.185795 -1.447257
H -3.056280 0.972470 1.254089
H -3.117164 -1.515455 1.335911
H -4.142835 -1.569668 -0.136676
H -4.780361 -0.853570 1.377288
H -4.620263 0.702088 -1.421059
H -5.279011 1.370625 0.095068
H -3.950970 2.226009 -0.746990


