%chk=000056593.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056593

0 1
 O    4.065500      -1.844300     -0.5609000    
 O    4.025800       3.182100     -0.2275000    
 O   -4.999600      0.8999000     -0.8400000    
 N   0.4469000      -2.215300      1.6400000E-02
 C   0.1521000     -0.9132000      0.6783000    
 C    1.871600      -2.547100      7.9700001E-02
 C    2.684300      -1.522700     -0.7120000    
 C    1.211900      0.1724000      0.4382000    
 C    2.417200     -0.1201000     -0.2274000    
 C   -1.239100     -0.4239000      0.2687000    
 C  -0.3383000      -3.310200      0.5991000    
 C    1.008600       1.476000      0.9295000    
 C    3.344900      0.9076000     -0.4654000    
 C   -2.223800     -0.2705000       1.235600    
 C   -1.498500     -0.1387000      -1.065100    
 C    3.111900       2.200000      1.0000000E-03
 C    1.949200       2.481600      0.7084000    
 C   -3.491300      0.1759000      0.8617000    
 C   -2.766000      0.3079000      -1.439000    
 C   -3.762500      0.4651000     -0.4756000    
 C   -5.970800       1.037500      0.1962000    
 H   0.1722000      -1.079300       1.766300    
 H    2.056400      -3.536900     -0.3585000    
 H    2.224200      -2.606200       1.119500    
 H    2.436900      -1.574300      -1.779700    
 H  -0.1283000      -4.251300      7.7900000E-02
 H   -1.413400      -3.137100      0.4861000    
 H  -0.1195000      -3.452500       1.663600    
 H   0.1090000       1.723300       1.487700    
 H    4.260000      0.6931000      -1.013200    
 H   -2.024400     -0.4928000       2.280100    
 H  -0.7335000     -0.2561000      -1.827600    
 H    1.764700       3.482900       1.087700    
 H    4.200600      -2.736300     -0.9239000    
 H   -4.217900      0.2756000       1.660800    
 H   -2.971300      0.5316000      -2.482300    
 H    4.770700       2.810000     -0.7302000    
 H   -5.672700       1.794800      0.9293000    
 H   -6.199300      7.3899999E-02  0.6641000    
 H   -6.894800       1.392400     -0.2720000    


%chk=000056593-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056593

0 1
O 4.215155 -1.783870 -0.591088
O 4.085365 3.250013 -0.152402
O -5.083711 0.853622 -0.830329
N 0.516262 -2.215381 0.021750
C 0.186266 -0.935498 0.713117
C 1.950320 -2.560682 0.126223
C 2.761199 -1.550254 -0.704411
C 1.239236 0.149360 0.415286
C 2.471246 -0.139159 -0.226601
C -1.226565 -0.475223 0.341666
C -0.369135 -3.324276 0.430776
C 0.995317 1.481776 0.836588
C 3.430591 0.880337 -0.427261
C -2.200455 -0.228956 1.332143
C -1.579475 -0.270466 -1.019248
C 3.166132 2.195229 0.008646
C 1.940299 2.504750 0.641107
C -3.502015 0.218182 0.996617
C -2.865032 0.167341 -1.374602
C -3.832229 0.416909 -0.365166
C -6.115029 1.134169 0.170084
H 0.194252 -1.098359 1.826158
H 2.089739 -3.581502 -0.279295
H 2.330771 -2.557997 1.177839
H 2.446438 -1.654333 -1.766126
H -0.124362 -4.225909 -0.157928
H -1.419882 -3.057501 0.230556
H -0.277650 -3.579754 1.516546
H 0.040945 1.722355 1.317896
H 4.386781 0.613491 -0.892641
H -1.947609 -0.390585 2.388020
H -0.832054 -0.470413 -1.794365
H 1.750848 3.531496 0.966976
H 4.430289 -2.647255 -1.026439
H -4.232606 0.398877 1.790787
H -3.148195 0.327888 -2.419560
H 4.909871 2.925779 -0.592681
H -5.799452 1.941527 0.859680
H -6.369372 0.227406 0.753410
H -6.992896 1.461668 -0.406127


