%chk=000151572.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151572

0 1
 O   -2.520200       1.505000      -1.883600    
 O    4.758800      0.2130000     -0.1090000    
 O    8.157700      0.2258000     -0.9215000    
 O    6.368500      0.7202000      -2.101500    
 N   -1.691900      0.6909000      0.1189000    
 N  -0.4117000      0.7310000     -0.3212000    
 N    6.901100      0.3446000      -1.016200    
 C   -4.350200      -1.309600      -1.013700    
 C   -3.645700      -2.262400     -4.5499999E-02
 C   -4.868700     -8.2000002E-02 -0.3093000    
 C   -3.092700      -3.485800     -0.7764000    
 C   -4.076000       1.050900     -0.1860000    
 C   -6.155800     -0.1128000      0.2108000    
 C   -2.356100      -4.416900      0.1733000    
 C   -4.579800       2.174400      0.4695000    
 C   -6.659500       1.010800      0.8662000    
 C   -5.871500       2.154300      0.9956000    
 C   -2.724200       1.099400     -0.7264000    
 C    4.173300     -0.1113000       1.061800    
 C    5.088700     -0.4706000       2.006600    
 C    2.749900     -6.1099999E-02   1.224600    
 C    6.094400      5.7599999E-02  8.6599998E-02
 C   0.4568000      0.3592000      0.5616000    
 C    6.348900     -0.3614000       1.371800    
 C    1.905500      0.3366000      0.2632000    
 H   -3.681300      -1.032900      -1.837200    
 H   -5.188000      -1.830900      -1.496100    
 H   -2.827900      -1.751100      0.4730000    
 H   -4.348900      -2.589000      0.7314000    
 H   -3.911100      -4.033600      -1.257500    
 H   -2.405000      -3.166800      -1.568300    
 H   -6.778500     -0.9982000      0.1185000    
 H   -1.970700      -5.285200     -0.3702000    
 H   -1.509000      -3.907500      0.6438000    
 H   -3.022100      -4.778300      0.9633000    
 H   -3.975600       3.071800      0.5767000    
 H   -7.665000      0.9950000       1.276300    
 H   -6.263700       3.029100       1.506000    
 H   -1.864300      0.3762000       1.069100    
 H    4.895200     -0.7749000       3.025800    
 H    2.359700     -0.3590000       2.195300    
 H    7.318800     -0.5647000       1.803600    
 H   0.1631000      3.9200000E-02   1.578600    
 H    2.228600      0.6490000     -0.7231000    


%chk=000151572-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151572

0 1
O -2.242088 0.018786 -1.756081
O 4.980093 0.294434 0.040685
O 8.382931 -0.070284 -1.032989
O 6.409951 -0.243325 -2.211171
N -1.460916 0.619041 0.376833
N -0.139147 0.498930 0.033421
N 7.084437 -0.038598 -1.126649
C -4.812042 -1.463462 -1.169901
C -4.131486 -2.622310 -0.386756
C -4.967430 -0.195321 -0.343872
C -3.995913 -3.902216 -1.241431
C -3.865390 0.661554 -0.028202
C -6.238791 0.144194 0.183678
C -3.317352 -5.060520 -0.479623
C -4.069664 1.820020 0.771050
C -6.436793 1.290939 0.983950
C -5.346673 2.140239 1.276400
C -2.489788 0.396623 -0.584246
C 4.560096 0.591623 1.359451
C 5.695508 0.721799 2.182676
C 3.154813 0.702736 1.627118
C 6.378096 0.248243 0.084960
C 0.756828 0.662001 1.000606
C 6.850131 0.503220 1.370984
C 2.157938 0.544770 0.684156
H -4.213696 -1.254798 -2.073810
H -5.812639 -1.802833 -1.499890
H -3.123266 -2.303291 -0.054452
H -4.714210 -2.844325 0.530725
H -5.001531 -4.220699 -1.585190
H -3.413561 -3.664547 -2.153920
H -7.089895 -0.507702 -0.045726
H -3.233007 -5.963471 -1.111650
H -2.297124 -4.778205 -0.158391
H -3.892194 -5.333878 0.425647
H -3.234781 2.507483 0.955515
H -7.436090 1.525810 1.366727
H -5.491002 3.045218 1.875864
H -1.746294 0.813284 1.350532
H 5.680228 0.949084 3.246703
H 2.897273 0.929966 2.669424
H 7.896011 0.524000 1.664872
H 0.470773 0.884840 2.049415
H 2.411557 0.318948 -0.358243


