%chk=000148068.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148068

0 1
 O   -3.026600      -1.309700       2.965700    
 O   -2.541000      0.9033000       1.353800    
 N   -3.654000      -1.773400     -0.6505000    
 N    5.982900      0.7987000     -0.6018000    
 C   -2.931500      -2.538300      -1.672200    
 C   -3.014200      -1.921100      0.6457000    
 C   -2.929900      -4.023200      -1.289500    
 C   -1.494200      -2.012900      -1.749700    
 C   -3.636400      -2.342500      -3.018600    
 C   -3.744000      -1.138500       1.740000    
 C   -3.852700      0.3558000       1.444900    
 C   -2.376200       1.968800      0.5098000    
 C    5.596400     -0.6106000     -0.6892000    
 C    4.298100     -0.8867000     -8.9999996E-03
 C   -1.162900       2.192800     -0.1345000    
 C   -3.451600       2.829200      0.3053000    
 C    3.212500     -3.3000000E-02 -0.2038000    
 C    4.169900      -1.999500      0.8223000    
 C    1.999700     -0.2927000      0.4329000    
 C   -1.023300       3.285700     -0.9899000    
 C   -3.312100       3.922200     -0.5503000    
 C    7.258400       1.020300      -1.280900    
 C    6.066900       1.218500      0.7960000    
 C    2.956100      -2.258400       1.458800    
 C    1.870400      -1.404600       1.264000    
 C   -2.098000       4.150300      -1.197800    
 C  -4.8999999E-02   1.317100      6.5399997E-02
 C   0.8860000      0.5824000      0.2331000    
 H   -4.621300      -2.091500     -0.5943000    
 H   -2.993200      -2.961400      0.9875000    
 H   -1.976500      -1.573100      0.6509000    
 H   -2.256900      -4.261000     -0.4592000    
 H   -2.584800      -4.630000      -2.136000    
 H   -3.935600      -4.378400      -1.035100    
 H  -0.8638000      -2.325700     -0.9110000    
 H   -1.465800     -0.9193000      -1.821900    
 H   -1.000200      -2.399700      -2.650000    
 H   -3.661300      -1.284400      -3.305100    
 H   -3.122800      -2.888700      -3.818000    
 H   -4.671100      -2.703500      -2.984700    
 H   -4.747600      -1.556400       1.883900    
 H   -4.435400      0.4894000      0.5253000    
 H   -4.368700      0.8543000       2.274200    
 H   -3.516700     -0.8371000       3.660100    
 H    5.485200     -0.8998000      -1.742500    
 H    6.387900      -1.246700     -0.2696000    
 H   -4.403700       2.713500      0.8140000    
 H    3.299400      0.8288000     -0.8624000    
 H    5.006200      -2.674600      0.9830000    
 H  -8.3499998E-02   3.478100      -1.502200    
 H   -4.145900       4.600500     -0.7062000    
 H    7.523800       2.083300      -1.264100    
 H    8.077400      0.4538000     -0.8229000    
 H    7.188100      0.7329000      -2.335900    
 H    6.424600       2.253800      0.8558000    
 H    6.760800      0.5960000       1.373800    
 H    5.098300       1.222500       1.304600    
 H    2.856000      -3.125300       2.105500    
 H   0.9299000      -1.620100       1.765700    
 H   -1.988900       5.002400      -1.862300    


%chk=000148068-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148068

0 1
O -1.927632 -1.184139 2.446352
O -2.160654 0.702136 0.540722
N -4.181033 -2.382870 -0.332692
N 6.507683 0.946386 0.085267
C -4.128914 -2.877262 -1.750190
C -2.907657 -2.193656 0.398216
C -3.322106 -4.202790 -1.886966
C -3.505606 -1.783243 -2.653035
C -5.597209 -3.115812 -2.179934
C -3.112422 -1.209286 1.577252
C -3.444738 0.207306 1.081516
C -2.073329 1.982854 -0.004435
C 6.163636 -0.490476 0.003506
C 4.725325 -0.793169 0.418250
C -0.747878 2.396613 -0.366607
C -3.180801 2.834254 -0.208421
C 3.684661 0.107201 0.100066
C 4.411926 -2.002696 1.087101
C 2.332451 -0.184924 0.439340
C -0.582911 3.682713 -0.951145
C -2.983419 4.108807 -0.788072
C 7.725614 1.280842 -0.677383
C 6.562784 1.444349 1.474864
C 3.072138 -2.309975 1.422245
C 2.033959 -1.413556 1.104434
C -1.687903 4.533297 -1.162834
C 0.356108 1.524530 -0.119787
C 1.280803 0.736720 0.130345
H -4.834488 -2.961978 0.215778
H -2.475440 -3.129267 0.817121
H -2.156542 -1.761350 -0.286241
H -2.274967 -4.065453 -1.560838
H -3.305537 -4.550324 -2.936902
H -3.773054 -5.002364 -1.268315
H -2.446121 -1.592388 -2.404513
H -4.061076 -0.835539 -2.539300
H -3.547142 -2.093368 -3.713098
H -6.179082 -2.181482 -2.088867
H -5.645990 -3.462555 -3.227372
H -6.077477 -3.887545 -1.546337
H -3.939477 -1.566467 2.219208
H -4.214359 0.151374 0.288963
H -3.767618 0.865999 1.910598
H -1.280572 -0.556816 2.023593
H 6.302997 -0.798884 -1.052680
H 6.858891 -1.127005 0.611462
H -4.187494 2.513550 0.074798
H 3.938636 1.047754 -0.399691
H 5.215744 -2.702120 1.349097
H 0.426708 4.001495 -1.229689
H -3.845143 4.766498 -0.946021
H 7.887543 2.373387 -0.653918
H 8.651195 0.790371 -0.280171
H 7.602812 0.975778 -1.732214
H 6.723057 2.537137 1.470970
H 7.382942 0.973498 2.074878
H 5.605681 1.240849 1.984416
H 2.839841 -3.246754 1.940787
H 0.996892 -1.647943 1.370056
H -1.540639 5.520359 -1.612629


