%chk=000130621.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130621

0 1
 O    4.719300      0.8765000      0.5540000    
 O   -4.418600       4.183600     -9.0400003E-02
 N    7.817500     -0.4204000     -0.9596000    
 C  -0.7812000     -7.8500003E-02  5.5199999E-02
 C   -1.193600      -1.389800     -3.2499999E-02
 C  -0.2971000      -2.618700     -6.7599997E-02
 C   0.6893000      0.1771000      0.1892000    
 C   -1.724800       1.027700      1.6899999E-02
 C   -2.636300      -1.714500     -0.1626000    
 C    1.431300      0.3332000     -0.9559000    
 C    1.229400      0.2436000       1.450000    
 C  -2.0000001E-03  -3.171300       1.321800    
 C   -2.278800       1.512200       1.201900    
 C   -2.076100       1.603700      -1.203900    
 C   -3.187800      -1.810400      -1.424100    
 C   -3.382400      -1.910300      0.9820000    
 C    3.383800      0.6450000      0.4326000    
 C    2.800300      0.5708000     -0.8323000    
 C    2.598200      0.4814000       1.573700    
 C   -3.184000       2.572800       1.166100    
 C   -2.981200       2.664400      -1.239700    
 C   -4.543500      -2.115200      -1.546400    
 C   -4.738100      -2.215100      0.8596000    
 C   -3.535400       3.149000     -5.4800000E-02
 C    5.559000      0.4024000     -0.4978000    
 C   -5.318500      -2.317600     -0.4048000    
 C    6.930000      8.4600002E-02  7.7299997E-02
 C    9.121000     -0.7665000     -0.4079000    
 H  -0.7554000      -3.408400     -0.6769000    
 H   0.6504000      -2.393700     -0.5690000    
 H   0.9845000      0.2815000      -1.944300    
 H   0.6258000      0.1203000       2.344300    
 H   0.4766000      -2.431600       1.968100    
 H   0.6714000      -4.031300       1.244500    
 H  -0.9170000      -3.512100       1.816700    
 H   -2.016600       1.074500       2.162100    
 H   -1.654200       1.238200      -2.137100    
 H   -2.593200      -1.656000      -2.320200    
 H   -2.942000      -1.831000       1.972000    
 H    3.370000      0.7194000      -1.744700    
 H    3.047100      0.5383000       2.561500    
 H   -3.612500       2.945500       2.092400    
 H   -3.246900       3.104200      -2.197300    
 H   -4.995500      -2.194900      -2.530800    
 H   -5.341900      -2.371800       1.748600    
 H    5.157700     -0.5156000     -0.9482000    
 H    5.638600       1.180700      -1.266400    
 H   -6.374200      -2.554600     -0.4999000    
 H    6.813500     -0.6546000      0.8799000    
 H    7.345200      0.9877000      0.5425000    
 H    7.933400      0.2855000      -1.686200    
 H   -4.545900       4.457700      -1.014900    
 H    9.764400      -1.148700      -1.206500    
 H    9.035100      -1.552600      0.3494000    
 H    9.614400      0.1053000      3.3900000E-02


%chk=000130621-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000130621

0 1
O 4.897870 -0.304870 0.673538
O -3.222426 4.680088 -0.741156
N 8.091086 1.165868 -0.533852
C -0.810457 -0.503769 -0.061229
C -1.519901 -1.695440 -0.091678
C -0.838369 -3.059899 -0.200413
C 0.679569 -0.457629 0.104352
C -1.468019 0.832776 -0.248704
C -3.017715 -1.744291 -0.018248
C 1.478209 0.351398 -0.746608
C 1.345432 -1.172589 1.142342
C -1.080586 -3.994344 1.013572
C -1.109020 1.941890 0.569648
C -2.425965 1.053765 -1.274696
C -3.777122 -2.586159 -0.878803
C -3.722532 -1.001889 0.972173
C 3.516536 -0.306810 0.428898
C 2.880079 0.427161 -0.603789
C 2.739322 -1.102148 1.307375
C -1.702715 3.206944 0.401497
C -3.023053 2.316244 -1.463437
C -5.183508 -2.662509 -0.774134
C -5.125816 -1.082534 1.084709
C -2.665857 3.393332 -0.616575
C 5.749746 0.506740 -0.211981
C -5.867427 -1.910650 0.208780
C 7.191949 0.312686 0.267928
C 9.528065 0.870298 -0.379399
H -1.228779 -3.571836 -1.104674
H 0.244405 -2.931498 -0.364189
H 0.992296 0.928214 -1.541326
H 0.753845 -1.772705 1.841880
H -0.671065 -3.557813 1.942908
H -0.593455 -4.973805 0.853368
H -2.159334 -4.169377 1.173072
H -0.356520 1.804722 1.354061
H -2.701877 0.225756 -1.935065
H -3.268068 -3.174990 -1.650859
H -3.156753 -0.363506 1.658744
H 3.456475 1.051914 -1.292475
H 3.245787 -1.645288 2.111249
H -1.434895 4.053805 1.040314
H -3.757553 2.460695 -2.266921
H -5.744348 -3.309770 -1.458420
H -5.641359 -0.502977 1.859132
H 5.648649 0.174351 -1.263199
H 5.449210 1.574639 -0.144016
H -6.958034 -1.973579 0.295539
H 7.482165 -0.742824 0.111998
H 7.240170 0.503437 1.367211
H 7.887665 2.165319 -0.401166
H -3.888990 4.703168 -1.471931
H 10.117463 1.568286 -0.999813
H 9.734455 -0.153291 -0.742755
H 9.903569 0.936892 0.670722


