%chk=000050842.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050842

0 1
 O    1.454800     -9.8899998E-02  0.3973000    
 O   0.1674000      7.8400001E-02  -1.512800    
 N   -3.421900      8.6800002E-02 -0.6441000    
 N    5.087000     -0.1481000     -0.2397000    
 C  -0.8719000     -6.7699999E-02  0.6570000    
 C   -1.708200      -1.302900      0.3900000    
 C   -1.655600       1.227400      0.5873000    
 C   -2.947300      -1.196500     -0.2818000    
 C   -2.895700       1.277800     -8.8799998E-02
 C   0.2851000     -1.8600000E-02 -0.2986000    
 C   -1.214900      -2.559900      0.7832000    
 C   -1.111900       2.386600       1.168900    
 C   -3.664200      -2.383700     -0.5202000    
 C   -3.562100       2.516300     -0.1381000    
 C    3.850100     -0.1625000      0.5270000    
 C   -4.574200      0.1811000      -1.543400    
 C    2.645700     -6.3900001E-02 -0.3957000    
 C   -1.942000      -3.717300      0.5262000    
 C   -1.789500       3.599000       1.096700    
 C   -3.166400      -3.628500     -0.1237000    
 C   -3.014500       3.662700      0.4450000    
 C    6.246500     -0.2853000      0.6451000    
 C    5.195000       1.082700      -1.026700    
 C    6.165300      -1.550400       1.474300    
 C    6.443500       1.085300      -1.884200    
 H  -0.5013000     -0.1558000       1.688700    
 H  -0.2564000      -2.638100       1.290600    
 H  -0.1526000       2.345500       1.679000    
 H   -4.639000      -2.370700      -1.000600    
 H   -4.535000       2.618200     -0.6116000    
 H    3.815900      0.6462000       1.269500    
 H    3.723700      -1.096800       1.085200    
 H   -5.510200      0.1566000     -0.9751000    
 H   -4.586400     -0.6270000      -2.283600    
 H   -4.550200       1.093900      -2.149600    
 H    2.632200     -0.8992000      -1.106400    
 H    2.613900      0.8832000     -0.9403000    
 H   -1.555500      -4.684100      0.8338000    
 H   -1.364400       4.489700       1.549100    
 H   -3.743000      -4.528200     -0.3196000    
 H   -3.552700       4.605000      0.3928000    
 H    7.167200     -0.3742000      5.9200000E-02
 H    6.358400      0.5821000       1.308100    
 H    4.376900       1.165700      -1.746700    
 H    5.173300       1.978400     -0.3934000    
 H    5.917400      -2.424400      0.8622000    
 H    5.442300      -1.470800       2.292100    
 H    7.137900      -1.746500       1.940100    
 H    6.558500      0.1478000      -2.439100    
 H    7.351900       1.266500      -1.301500    
 H    6.382400       1.893900      -2.621800    


%chk=000050842-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050842

0 1
O 1.444125 -0.268959 0.605728
O 0.206813 -0.925292 -1.259569
N -3.181044 0.012733 -0.846954
N 5.081369 0.306847 -0.099622
C -0.939546 -0.422744 0.909243
C -1.984456 -1.501915 0.677253
C -1.526650 0.973324 0.699899
C -3.044009 -1.265580 -0.247785
C -2.599821 1.145775 -0.226490
C 0.255012 -0.590251 -0.057726
C -1.884047 -2.753790 1.317427
C -0.977632 2.095718 1.353347
C -3.965784 -2.313972 -0.521684
C -3.082193 2.461022 -0.479769
C 3.820708 0.214026 0.678571
C -4.070318 0.185368 -2.002025
C 2.689919 -0.298982 -0.220954
C -2.795996 -3.796779 1.041853
C -1.454486 3.400311 1.096450
C -3.833059 -3.567546 0.110268
C -2.506885 3.572929 0.169054
C 6.288769 -0.072033 0.681560
C 5.218544 1.608623 -0.809505
C 6.401311 -1.591642 0.908385
C 6.117913 1.524337 -2.057159
H -0.523485 -0.497842 1.928935
H -1.064503 -2.917784 2.028299
H -0.148688 1.940319 2.053927
H -4.805129 -2.150716 -1.203550
H -3.925350 2.620018 -1.157869
H 3.523043 1.191322 1.126507
H 3.954724 -0.492385 1.516308
H -5.126584 0.368270 -1.713792
H -4.027692 -0.716144 -2.634422
H -3.719731 1.032995 -2.612942
H 2.878118 -1.333152 -0.556496
H 2.539503 0.334169 -1.113457
H -2.697730 -4.766718 1.539766
H -1.013639 4.262858 1.606445
H -4.554170 -4.360949 -0.116836
H -2.895461 4.575817 -0.041573
H 7.174473 0.262985 0.112217
H 6.323706 0.462105 1.665088
H 4.207496 1.925842 -1.127008
H 5.595743 2.407752 -0.121459
H 6.426990 -2.118240 -0.061326
H 5.547269 -1.987409 1.487986
H 7.324292 -1.831738 1.468706
H 5.726041 0.764729 -2.755559
H 7.156788 1.248116 -1.801424
H 6.150717 2.501055 -2.574966


