%chk=000121891.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121891

0 1
 O   -1.057700       2.965600      0.1292000    
 O    1.734000       1.869700      -1.628400    
 O    2.169800       3.041700      0.2638000    
 N   -1.944000      0.8427000     -8.6700000E-02
 C   -3.977400      1.7700000E-02 -0.9692000    
 C   -2.997200      -1.153300     -0.7874000    
 C   -3.038100       1.224700     -0.9725000    
 C   -1.969100     -0.5912000      0.1979000    
 C   -5.013200      0.1190000      0.1602000    
 C   -3.650300      -2.462500     -0.3549000    
 C   -5.698400      -1.216300      0.4228000    
 C   -4.678200      -2.297700      0.7601000    
 C   -1.031600       1.763200      0.3964000    
 C   4.1499998E-02   1.204400       1.295900    
 C    1.252100      0.7907000      0.4584000    
 C    2.352500      0.2076000       1.369200    
 C    1.776100       2.017200     -0.2794000    
 C    3.364700     -0.6281000      0.6203000    
 C    3.143700      -1.987300      0.4704000    
 C    4.493900     -1.8700000E-02  9.8600000E-02
 C    4.078100      -2.758700     -0.2206000    
 C    5.428300     -0.7900000     -0.5924000    
 C    5.220400      -2.160100     -0.7519000    
 H   -4.508800     -6.4499997E-02  -1.924700    
 H   -2.481900      -1.324500      -1.743500    
 H   -2.606800       1.387600      -1.966900    
 H   -3.504000       2.156700     -0.6379000    
 H   -2.270200     -0.7201000       1.242500    
 H  -0.9842000      -1.042500      5.7200000E-02
 H   -5.765200      0.8728000     -0.1023000    
 H   -4.542500      0.4654000       1.089200    
 H   -2.883600      -3.183100     -4.7499999E-02
 H   -4.157200      -2.898600      -1.225600    
 H   -6.278400      -1.514800     -0.4589000    
 H   -6.407100      -1.108800       1.251700    
 H   -4.173600      -2.048500       1.700800    
 H   -5.194600      -3.250600      0.9234000    
 H  -0.3349000      0.3710000       1.896100    
 H   0.3123000       1.991600       2.011800    
 H   0.9513000      4.5100000E-02 -0.2875000    
 H    2.872500       1.006000       1.915500    
 H    1.897900     -0.4244000       2.144300    
 H    2.255800      -2.461900      0.8780000    
 H    4.666600       1.046800      0.2188000    
 H    2.060900       2.668800      -2.093800    
 H    3.915900      -3.825300     -0.3456000    
 H    6.317900     -0.3240000      -1.005900    
 H    5.947900      -2.760600      -1.290000    


%chk=000121891-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121891

0 1
O -1.086860 2.911058 -0.005582
O 1.412119 1.704318 -1.743870
O 2.620801 2.677380 -0.016825
N -2.008444 0.789441 -0.129902
C -4.130501 0.080940 -0.957127
C -3.199518 -1.164758 -0.811094
C -3.119616 1.249975 -1.009237
C -2.088270 -0.666683 0.153157
C -5.115909 0.223941 0.232121
C -3.920381 -2.458036 -0.365731
C -5.879309 -1.088787 0.521383
C -4.891093 -2.240540 0.819849
C -1.054706 1.678461 0.319313
C 0.060171 1.124968 1.214281
C 1.307434 0.620669 0.412312
C 2.394527 0.085303 1.392326
C 1.863355 1.769704 -0.423918
C 3.542946 -0.625936 0.689084
C 3.448626 -2.006319 0.372033
C 4.718435 0.076705 0.316770
C 4.497815 -2.669747 -0.302821
C 5.770176 -0.583888 -0.357674
C 5.663762 -1.958719 -0.671023
H -4.708684 0.017022 -1.898599
H -2.722363 -1.345726 -1.795631
H -2.739703 1.433902 -2.033343
H -3.523256 2.204655 -0.629573
H -2.362264 -0.852176 1.211712
H -1.125073 -1.172543 -0.043341
H -5.825451 1.046419 0.017780
H -4.554964 0.523510 1.141146
H -3.173742 -3.238247 -0.115348
H -4.500231 -2.846711 -1.227336
H -6.503487 -1.359353 -0.355907
H -6.570837 -0.945197 1.373646
H -4.324340 -2.001203 1.742935
H -5.440571 -3.179687 1.023060
H -0.297869 0.288713 1.843017
H 0.377315 1.947987 1.878610
H 1.000641 -0.183239 -0.280993
H 2.772144 0.942943 1.979096
H 1.896980 -0.609382 2.096371
H 2.551609 -2.567352 0.665893
H 4.801698 1.143331 0.555170
H 1.709224 2.518443 -2.234451
H 4.410513 -3.737298 -0.535640
H 6.672244 -0.027047 -0.635816
H 6.480810 -2.471316 -1.191280


