%chk=000108191.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108191

0 1
 O    4.537900      0.2539000     -7.3000002E-03
 N   -2.356700     -0.6664000      0.9192000    
 N    2.228100     -2.3800001E-02  5.3300001E-02
 C   -1.527900      0.3733000      0.3084000    
 C   -2.092700      0.8300000      -1.037400    
 C  -0.1732000     -0.2304000      0.1130000    
 C   -3.538000       1.296900     -0.8954000    
 C   -4.375800      0.2321000     -0.1946000    
 C  -0.1394000      -1.709600     -0.1667000    
 C   -3.731200     -0.2038000       1.119800    
 C    1.194600      -2.133500     -0.7728000    
 C    2.354400      -1.488000     -2.7200000E-02
 C   0.9501000      0.5067000      0.1775000    
 C    3.406400      0.7359000      0.1044000    
 C    3.263600       2.226800      0.3060000    
 H   -1.463800       1.231700      0.9908000    
 H   -2.056100      1.6200000E-02  -1.774300    
 H   -1.488700       1.649100      -1.447300    
 H   -3.960600       1.519600      -1.881300    
 H   -3.567100       2.226800     -0.3143000    
 H   -5.382600      0.6202000     -3.4000000E-03
 H   -4.487600     -0.6371000     -0.8551000    
 H  -0.2928000      -2.267300      0.7657000    
 H  -0.9291000      -2.001500     -0.8690000    
 H   -1.970700     -0.9203000       1.829500    
 H   -3.748300      0.6220000       1.841600    
 H   -4.318800      -1.020100       1.553800    
 H    1.288900      -3.224900     -0.7538000    
 H    1.227100      -1.826100      -1.826400    
 H    2.410100      -1.863200       1.002500    
 H    3.296800      -1.754800     -0.5183000    
 H   0.8709000       1.573600      0.3460000    
 H    2.782600       2.436100       1.265200    
 H    2.694000       2.669200     -0.5157000    
 H    4.256400       2.687500      0.3167000    


%chk=000108191-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000108191

0 1
O 4.600083 0.194959 0.228434
N -2.391016 -0.475383 1.050303
N 2.287491 -0.059248 0.160322
C -1.529131 0.358459 0.166849
C -2.254856 0.545474 -1.196793
C -0.158813 -0.286493 0.021414
C -3.669048 1.141147 -0.999774
C -4.494627 0.272681 -0.022391
C -0.063559 -1.740119 -0.418728
C -3.731167 0.103213 1.307191
C 1.336429 -2.048006 -0.997273
C 2.445325 -1.521661 -0.067098
C 0.968009 0.450387 0.258301
C 3.446911 0.722310 0.298724
C 3.266909 2.220529 0.534462
H -1.386948 1.387710 0.595086
H -2.340718 -0.438473 -1.696508
H -1.639147 1.199771 -1.842496
H -4.185356 1.229179 -1.974578
H -3.581178 2.169013 -0.588737
H -5.482530 0.732911 0.171565
H -4.666523 -0.727033 -0.465734
H -0.280035 -2.410299 0.437637
H -0.849289 -1.959560 -1.164780
H -1.899939 -0.720200 1.921030
H -3.673101 1.104247 1.808607
H -4.282256 -0.576433 1.983317
H 1.471583 -3.136708 -1.133841
H 1.443029 -1.573195 -1.991257
H 2.400775 -2.040126 0.911826
H 3.453581 -1.679358 -0.481603
H 0.888523 1.500288 0.551706
H 2.748249 2.426719 1.489062
H 2.693023 2.701620 -0.278058
H 4.270115 2.668476 0.576912


