%chk=000158192.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158192

0 1
 O   0.4728000      -2.583600      -1.570800    
 O    3.927700      0.4050000      -1.032000    
 O   -1.049900     -0.7692000      0.1588000    
 O    3.482600       2.252000      0.7075000    
 O   1.9700000E-02   1.846600      0.3665000    
 O   0.1825000      -2.037000       1.648400    
 O    1.502900       3.274100     -0.6637000    
 N   -4.063000      0.1739000      2.0800000E-02
 C    2.701300      0.1916000     -0.2926000    
 C   0.9792000      -1.686100     -0.5583000    
 C    1.649900     -0.4710000      -1.167700    
 C    1.581700      -3.058400     -0.8081000    
 C    3.981700     -0.5782000      1.2000001E-03
 C    2.339500       1.378500      0.6108000    
 C   -2.859700      0.7807000      0.6690000    
 C   5.4000001E-03  -1.532300      0.5491000    
 C   -2.015900     -0.4033000       1.163100    
 C    1.316900      -4.276100     -1.0300000E-02
 C   -3.046100      -1.514100       1.307100    
 C   -3.935400      -1.286000      9.5600002E-02
 C    2.015200      0.9464000       2.042400    
 C   -2.265400       1.708200     -0.3464000    
 C    1.264000       2.290200      2.6600000E-02
 C   -4.106000      0.6875000      -1.362500    
 C   -2.968500       1.646000      -1.481700    
 C   -1.113000       2.614900     -7.2499998E-02
 H   0.8833000      0.2467000      -1.475600    
 H    2.125400     -0.7734000      -2.112100    
 H    2.542100      -3.114400      -1.305600    
 H    4.066400      -1.612500     -0.3027000    
 H    4.551700     -0.3373000      0.8896000    
 H   -3.222300       1.354700       1.531200    
 H   -1.512800     -0.1703000       2.108400    
 H   -3.620500      -1.386600       2.232500    
 H   -2.608800      -2.516700       1.293800    
 H   0.2672000      -4.363500      0.2878000    
 H    1.934200      -4.278700      0.8932000    
 H    1.568100      -5.168700     -0.5923000    
 H   -3.448100      -1.712400     -0.7904000    
 H   -4.912700      -1.763800      0.2129000    
 H    1.147600      0.2897000       2.096600    
 H    2.863200      0.4267000       2.501800    
 H    1.804400       1.817100       2.675100    
 H   -5.054500       1.210500      -1.523100    
 H   -4.016800     -9.5399998E-02  -2.123500    
 H   -2.767600       2.230600      -2.367800    
 H  -0.8707000       3.202200     -0.9654000    
 H   -1.377600       3.308500      0.7327000    
 H    3.286500       2.940900       1.365600    


%chk=000158192-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158192

0 1
O 0.718811 -3.214563 -0.648349
O 2.811696 0.818879 -2.152822
O -1.411082 -1.099943 0.238913
O 3.545242 2.039817 0.150958
O 0.152852 1.501196 1.199428
O -0.258020 -1.725516 2.170644
O 0.986071 3.013906 -0.371022
N -3.996710 0.434945 -0.583472
C 2.345313 0.147434 -0.870247
C 0.832019 -1.809932 -0.057626
C 1.103898 -0.714864 -1.100720
C 1.885508 -2.840990 0.250712
C 3.652855 -0.249434 -1.485544
C 2.417677 1.128779 0.343168
C -3.160697 0.619891 0.651617
C -0.293139 -1.549544 0.931496
C -2.649924 -0.802265 1.022818
C 2.046944 -3.617220 1.538672
C -3.772379 -1.706148 0.477521
C -4.174960 -1.018942 -0.853630
C 2.682809 0.411171 1.673644
C -2.152424 1.695264 0.267756
C 1.125944 1.993080 0.339506
C -3.459282 1.287975 -1.680700
C -2.337794 2.071278 -1.026468
C -1.154923 2.275203 1.227500
H 0.213218 -0.071511 -1.200170
H 1.236845 -1.223361 -2.072621
H 2.814767 -2.718868 -0.326680
H 3.714015 -1.187296 -2.051524
H 4.581686 0.128160 -1.044516
H -3.780536 0.960811 1.512074
H -2.423535 -0.937685 2.093531
H -4.616714 -1.695106 1.191477
H -3.440765 -2.748132 0.342684
H 1.086403 -3.762157 2.052927
H 2.721639 -3.075706 2.227479
H 2.496559 -4.602997 1.321242
H -3.503420 -1.359531 -1.674424
H -5.215040 -1.259255 -1.140057
H 1.844361 -0.227990 1.984531
H 3.599931 -0.195760 1.581419
H 2.851399 1.166871 2.458383
H -4.233747 1.962048 -2.101907
H -3.076789 0.671672 -2.528995
H -1.756077 2.838322 -1.546626
H -0.916615 3.324123 0.985901
H -1.471103 2.176801 2.278404
H 3.415011 2.481293 -0.733287


