%chk=000031484.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031484

0 1
 O  -0.7780000      -1.832100     -7.4600004E-02
 O    2.115000       1.003700     -0.6009000    
 O    4.647300      0.4993000      0.3877000    
 O  -0.1321000     -0.2031000      -1.567300    
 N   -4.197300     -0.4497000     -3.7900001E-02
 C   -2.812500     -0.6383000      0.3676000    
 C   -4.946500      -1.703300      7.7100001E-02
 C   -4.835100      0.5956000      0.7663000    
 C   -2.138900      -1.692400     -0.4964000    
 C   -6.376000      -1.535200     -0.4090000    
 C   -4.075700       1.907500      0.6634000    
 C   0.6240000       2.862900     -0.3702000    
 C    1.576700       1.916200      0.3459000    
 C   1.8700000E-02   3.884700      0.5881000    
 C    1.484700      -1.265000     -0.1733000    
 C    2.433800     -0.2479000     -0.1417000    
 C   0.1425000      -1.027500     -0.6870000    
 C    3.711700     -0.4904000      0.3532000    
 C    1.816300      -2.536500      0.2947000    
 C  -0.8987000       4.855000     -0.1386000    
 C    4.043300      -1.761900      0.8211000    
 C    3.095500      -2.784900      0.7918000    
 C    5.481200      0.6432000     -0.7602000    
 H   -2.727700     -0.9170000       1.426800    
 H   -2.226800      0.2789000      0.2455000    
 H   -4.527600      -2.476000     -0.5731000    
 H   -4.943200      -2.092500       1.103000    
 H   -4.924400      0.3041000       1.820400    
 H   -5.842600      0.8074000      0.3938000    
 H   -2.563300      -2.688400     -0.3503000    
 H   -2.203300      -1.461200      -1.566600    
 H   -6.839700      -2.520500     -0.5335000    
 H   -6.418800      -1.030500      -1.380400    
 H   -6.999300     -0.9877000      0.3048000    
 H   -4.693200       2.719700       1.063900    
 H   -3.839400       2.162400     -0.3755000    
 H   -3.151600       1.905100       1.250000    
 H  -0.1746000       2.291000     -0.8560000    
 H    1.161800       3.372700      -1.179300    
 H    2.403700       2.476000      0.7974000    
 H    1.043200       1.387800       1.146500    
 H  -0.5494000       3.369200       1.371300    
 H   0.8168000       4.449500       1.083900    
 H    1.105600      -3.358500      0.2731000    
 H  -0.3526000       5.410800     -0.9074000    
 H   -1.726900       4.325100     -0.6199000    
 H   -1.321900       5.577000      0.5668000    
 H    5.038000      -1.962900       1.209800    
 H    3.355100      -3.775700       1.153500    
 H    4.880600      0.8666000      -1.647600    
 H    6.069300     -0.2656000     -0.9232000    
 H    6.166700       1.476500     -0.5833000    


%chk=000031484-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031484

0 1
O -0.951371 -1.790272 -0.539656
O 2.046146 1.166552 -0.529166
O 4.680638 0.412353 0.266304
O -0.693082 0.473220 -0.042938
N -4.653313 -1.307088 0.178822
C -3.225027 -1.554061 0.491437
C -5.551726 -2.457563 0.455680
C -5.155967 -0.000944 0.676256
C -2.399972 -1.532905 -0.811789
C -6.837521 -2.444065 -0.394508
C -4.485611 1.204306 -0.011621
C 1.481855 3.518161 -0.301485
C 1.821021 2.249178 0.478804
C 1.215726 4.720516 0.634656
C 1.218692 -1.062548 0.138355
C 2.274009 -0.112504 0.004614
C -0.196019 -0.676746 -0.146991
C 3.607140 -0.498670 0.334096
C 1.511161 -2.377272 0.592497
C 0.872317 6.007234 -0.146746
C 3.875049 -1.798476 0.814723
C 2.826565 -2.736207 0.945168
C 5.000027 0.940003 -1.081873
H -3.090351 -2.533411 0.992627
H -2.828601 -0.781096 1.179459
H -4.988366 -3.379810 0.219393
H -5.823447 -2.518901 1.540948
H -5.023649 0.084711 1.785846
H -6.242940 0.039806 0.482489
H -2.697678 -2.349156 -1.487799
H -2.506883 -0.558290 -1.315040
H -7.429925 -3.358657 -0.205464
H -6.581359 -2.401250 -1.467562
H -7.481608 -1.577463 -0.161538
H -4.898147 2.148484 0.390536
H -4.672668 1.176153 -1.099943
H -3.392470 1.218795 0.149506
H 0.588951 3.316216 -0.922503
H 2.314215 3.758669 -0.992141
H 2.744480 2.365140 1.081559
H 0.978061 1.946364 1.127060
H 0.382613 4.472093 1.322721
H 2.106170 4.901127 1.271144
H 0.692925 -3.097810 0.669941
H 1.698711 6.290571 -0.825462
H -0.034424 5.864233 -0.763684
H 0.687800 6.856957 0.535826
H 4.908057 -2.050697 1.074993
H 3.039756 -3.745467 1.312014
H 4.119860 1.433421 -1.527361
H 5.349744 0.117738 -1.735478
H 5.814836 1.662525 -0.922527


