%chk=000163730.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163730

0 1
 O    5.460000       3.162100      0.8230000    
 O    5.578700      -2.784600       1.157100    
 N    3.970100      7.4199997E-02 -0.4972000    
 N   -1.625400      5.4900002E-02 -0.7304000    
 N   -2.100600      0.1143000      0.4273000    
 N   -7.693500      0.1516000      0.1881000    
 C    2.560900      6.4199999E-02 -0.5557000    
 C    4.697000       1.327800     -0.5271000    
 C    4.709000      -1.168300     -0.3921000    
 C    1.869800      -1.147000     -0.5262000    
 C   0.4762000      -1.156500     -0.5842000    
 C    1.858300       1.266100     -0.6431000    
 C    4.714200       1.951700      0.8580000    
 C    4.884000      -1.547000       1.068700    
 C  -0.2264000      4.5400001E-02 -0.6716000    
 C   0.4647000       1.256700     -0.7009000    
 C  -0.2424000      -2.465700     -0.5502000    
 C   -3.504800      0.1241000      0.3687000    
 C   -4.204900      -1.077900      0.3974000    
 C   -4.184000       1.335200      0.2810000    
 C   -6.284800      0.1426000      0.2500000    
 C   -5.598600      -1.068500      0.3379000    
 C   -5.577600       1.344500      0.2216000    
 H    4.326500       2.021700      -1.291300    
 H    5.738100       1.156400     -0.8331000    
 H    5.710100      -1.039500     -0.8271000    
 H    4.299100      -1.988800     -0.9915000    
 H    2.369200      -2.105300     -0.4389000    
 H    2.334600       2.239700     -0.6721000    
 H    5.198900       1.303000       1.590000    
 H    3.715000       2.180000       1.239200    
 H    3.922700      -1.665800       1.577300    
 H    5.466600     -0.8070000       1.621300    
 H  -7.4100003E-02   2.198400     -0.7701000    
 H   0.4443000      -3.311900     -0.6614000    
 H  -0.7675000      -2.585800      0.4028000    
 H  -0.9647000      -2.533400      -1.370800    
 H    5.015000       3.761300      0.1996000    
 H    6.444800      -2.666300      0.7311000    
 H   -3.678000      -2.025800      0.4660000    
 H   -3.640600       2.276100      0.2587000    
 H   -6.138300      -2.011800      0.3606000    
 H   -6.100800       2.294900      0.1530000    
 H   -8.192000       1.029300      0.1268000    
 H   -8.206800     -0.7195000      0.2112000    


%chk=000163730-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163730

0 1
O 5.621547 3.352088 0.780618
O 5.921514 -2.959539 0.745143
N 4.039029 0.120986 -0.482949
N -1.623341 -0.457436 -0.154868
N -2.344950 0.645691 -0.114453
N -7.985305 0.164421 0.181273
C 2.640430 0.000269 -0.380447
C 4.689702 1.442432 -0.513421
C 4.901794 -1.072516 -0.522259
C 2.002690 -1.279858 -0.336409
C 0.602927 -1.422764 -0.266060
C 1.796607 1.158792 -0.332128
C 4.879179 2.087693 0.885355
C 5.190831 -1.691270 0.871733
C -0.219986 -0.250356 -0.229774
C 0.406799 1.028705 -0.264183
C -0.018628 -2.806334 -0.226213
C -3.748528 0.436127 -0.042130
C -4.396808 -0.836171 -0.015733
C -4.551864 1.609502 0.007230
C -6.597231 0.258565 0.107805
C -5.791824 -0.923598 0.057651
C -5.951131 1.530430 0.081277
H 4.117795 2.132584 -1.165596
H 5.689415 1.336652 -0.971516
H 5.860721 -0.790255 -0.998449
H 4.452433 -1.855319 -1.161197
H 2.601242 -2.195343 -0.356516
H 2.228165 2.163696 -0.352245
H 5.510385 1.445539 1.521048
H 3.902396 2.227194 1.391026
H 4.249142 -1.959182 1.376007
H 5.738746 -0.968809 1.512420
H -0.237584 1.913075 -0.231600
H 0.757589 -3.591005 -0.249579
H -0.630239 -2.939274 0.683570
H -0.701178 -2.957570 -1.081295
H 5.043082 4.041263 0.367135
H 6.838143 -2.781276 0.415048
H -3.774787 -1.736002 -0.054154
H -4.043493 2.579549 -0.013778
H -6.280803 -1.906105 0.077421
H -6.553287 2.446423 0.119031
H -8.563483 0.999011 0.217314
H -8.445853 -0.740906 0.200246


