%chk=000039166.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039166

0 1
 O  -0.1781000       3.459100       1.266000    
 O   -1.227500      0.3106000      -2.156900    
 O    5.045500      -1.406700      -1.085800    
 N  -0.6866000       1.181400     -7.6399997E-02
 N    3.159900      -1.497700      0.1577000    
 N    1.564700       4.046400     -0.1092000    
 N    4.379700      -2.150700     -0.3568000    
 N    1.311900      -3.149900      0.5613000    
 C    1.751400       1.072300     -0.4347000    
 C   0.4750000       1.920400     -0.4979000    
 C    2.105600      0.5782000      0.9765000    
 C    3.359400     -0.2917000      0.9903000    
 C   0.5702000       3.197000      0.3273000    
 C   -1.452500      0.4266000     -0.9551000    
 C   -2.634900     -0.2557000     -0.3689000    
 C   -3.715200     -0.5314000      -1.181300    
 C   -2.614600     -0.5921000      0.9687000    
 C   -4.825300      -1.172200     -0.6311000    
 C   -3.724700      -1.233000       1.518700    
 C   -4.830000      -1.523000      0.7188000    
 C    2.166100      -2.388000      0.3688000    
 H    2.601000       1.640400     -0.8321000    
 H    1.619500      0.2128000      -1.103300    
 H   0.3193000       2.226600      -1.540700    
 H    1.261500      2.4599999E-02   1.404300    
 H    2.278600       1.438900       1.633200    
 H    3.590000     -0.5956000       2.018400    
 H    4.209000      0.2963000      0.6240000    
 H  -0.9619000       1.277100      0.8951000    
 H    1.728700       4.934600      0.3530000    
 H    2.153400       3.836300     -0.9085000    
 H   -3.729300     -0.2605000      -2.232700    
 H   -1.761800     -0.4187000       1.616400    
 H   -5.686400      -1.397500      -1.253600    
 H   -3.725600      -1.514300       2.567800    
 H   -5.693600      -2.023700       1.146700    


%chk=000039166-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000039166

0 1
O 0.137342 3.188887 1.735969
O -0.926481 0.130859 -1.921506
O 4.611515 -0.596268 -1.662563
N -0.681742 1.254907 0.085467
N 3.299752 -1.627210 -0.106262
N 1.645734 4.087061 0.217734
N 3.957211 -1.646644 -1.428212
N 1.930404 -3.702842 0.469020
C 1.772294 1.037781 -0.448297
C 0.516257 1.963189 -0.366218
C 2.138113 0.387501 0.901517
C 3.417094 -0.474697 0.831829
C 0.737792 3.132432 0.618175
C -1.368335 0.397765 -0.753833
C -2.644150 -0.203399 -0.224298
C -3.185447 -1.305702 -0.933966
C -3.327873 0.289363 0.919090
C -4.379913 -1.917202 -0.501435
C -4.526242 -0.321015 1.348816
C -5.052848 -1.428014 0.643290
C 2.570351 -2.725977 0.197262
H 2.630668 1.624342 -0.831916
H 1.540715 0.265281 -1.203498
H 0.332287 2.352705 -1.387789
H 1.290695 -0.224963 1.263181
H 2.318531 1.163731 1.671314
H 3.676151 -0.876204 1.827369
H 4.270380 0.119916 0.454196
H -1.002639 1.500279 1.028361
H 1.838028 4.872304 0.839878
H 2.093945 4.057451 -0.696688
H -2.650128 -1.657439 -1.821841
H -2.958191 1.163111 1.469151
H -4.786131 -2.771969 -1.052983
H -5.050871 0.069290 2.227689
H -5.981871 -1.901409 0.979998


