%chk=000041913.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041913

0 1
 O  -0.4570000      -1.141800      -1.044300    
 N   -2.648800      0.1728000     -0.4675000    
 N   0.9109000      0.5693000     -0.2394000    
 C   -2.561900     -0.5107000      0.8306000    
 C   -3.856700       1.006000     -0.5494000    
 C   -3.783300      -1.399700       1.068900    
 C   -5.120500      0.1664000     -0.3564000    
 C   -5.078900     -0.6037000      0.9585000    
 C   -1.452600      0.9814000     -0.7009000    
 C    1.113600       1.967100      0.1961000    
 C    2.586200       2.125100      0.5901000    
 C  -0.2860000      2.2100000E-02 -0.6812000    
 C    2.140300     -0.1130000     -0.1277000    
 C    3.126300      0.7537000      0.3485000    
 C    2.442700      -1.435900     -0.4159000    
 C    4.429500      0.3237000      0.5474000    
 C    3.754600      -1.878000     -0.2177000    
 C    4.741600      -1.004900      0.2603000    
 H   -2.490900      0.2252000       1.643700    
 H   -1.690500      -1.164000      0.9312000    
 H   -3.911100       1.483500      -1.535200    
 H   -3.830800       1.808100      0.2001000    
 H   -3.719200      -1.859400       2.061800    
 H   -3.791500      -2.217600      0.3371000    
 H   -5.223400     -0.5395000      -1.190300    
 H   -6.003100      0.8157000     -0.3767000    
 H   -5.940900      -1.276100       1.028400    
 H   -5.149200      9.9699996E-02   1.797200    
 H   -1.478800       1.446000      -1.693200    
 H   -1.376400       1.766800      5.4000001E-02
 H   0.4656000       2.172000       1.055600    
 H   0.8341000       2.643500     -0.6193000    
 H    2.685800       2.413700       1.641000    
 H    3.085300       2.864900     -4.3200001E-02
 H    1.705800      -2.137900     -0.7862000    
 H    5.192400       1.000600      0.9171000    
 H    4.013100      -2.910700     -0.4369000    
 H    5.755300      -1.366800      0.4076000    


%chk=000041913-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041913

0 1
O -0.282409 -1.362319 -0.298633
N -2.698943 0.144958 -0.099661
N 1.049505 0.529234 -0.011213
C -2.975780 -0.740328 1.061614
C -3.812644 1.093311 -0.351360
C -4.271936 -1.544805 0.840633
C -5.129875 0.337675 -0.619260
C -5.467033 -0.607211 0.556906
C -1.407964 0.830852 -0.012098
C 1.226104 1.997046 0.245772
C 2.754264 2.257190 0.090385
C -0.188608 -0.111333 -0.123971
C 2.328325 -0.113436 -0.039908
C 3.356730 0.860585 0.053015
C 2.627358 -1.491468 -0.138473
C 4.705034 0.470327 0.063939
C 3.992091 -1.870030 -0.126300
C 5.025030 -0.908935 -0.023167
H -3.072885 -0.133701 2.003684
H -2.122936 -1.427830 1.178104
H -3.551402 1.717196 -1.228024
H -3.963286 1.787826 0.520388
H -4.469080 -2.170284 1.732514
H -4.118151 -2.224429 -0.018902
H -5.014112 -0.254035 -1.547502
H -5.945383 1.068682 -0.783168
H -6.378287 -1.193568 0.332885
H -5.685134 -0.002595 1.462322
H -1.349630 1.564580 -0.842143
H -1.298867 1.429964 0.935750
H 0.880162 2.238737 1.269114
H 0.629371 2.591667 -0.466389
H 3.146756 2.867749 0.922214
H 2.971302 2.802255 -0.847609
H 1.824105 -2.224035 -0.222735
H 5.500462 1.221014 0.136163
H 4.246963 -2.933427 -0.198057
H 6.072382 -1.229479 -0.013029


