%chk=000008549.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008549

0 1
 O  -0.4395000       1.726600       2.474800    
 O    2.630700      -3.085500      0.5732000    
 N   -1.656600      0.6734000     -0.9006000    
 N    3.121000       2.222400     -0.8929000    
 C   -3.841600      8.8200003E-02  0.3796000    
 C   -1.655700       1.339200      0.4293000    
 C   -2.940400       1.010400       1.224100    
 C   -3.014600      -1.186400      8.9100003E-02
 C   -4.147300      0.8326000     -0.9334000    
 C   -1.789800     -0.7971000     -0.7672000    
 C   -2.832800       1.161200      -1.658700    
 C  -0.3925000       1.027100       1.235400    
 C   -3.829800      -2.262800     -0.5627000    
 C   0.8591000       1.412400      0.4878000    
 C   -4.042900      -3.469000     -2.5699999E-02
 C    1.848200      0.4784000      0.1775000    
 C   0.9894000       2.737400      0.1170000    
 C    2.982600      0.9343000     -0.5264000    
 C    1.736400     -0.8736000      0.5439000    
 C    2.134500       3.089300     -0.5685000    
 C    3.974000      8.6000003E-03 -0.8404000    
 C    2.743000      -1.777500      0.2169000    
 C    3.863200      -1.335600     -0.4761000    
 C    3.701200      -3.954000      0.2040000    
 H   -4.765800     -0.1432000      0.9208000    
 H   -1.687700       2.424800      0.2614000    
 H   -3.479200       1.936500       1.460700    
 H   -2.730700      0.5114000       2.176300    
 H   -2.641600      -1.566000       1.051600    
 H   -4.689400       1.760800     -0.7148000    
 H   -4.796100      0.2329000      -1.580700    
 H  -0.8869000      -1.232100     -0.3331000    
 H   -1.842000      -1.238500      -1.772000    
 H   -2.838000      0.7189000      -2.662900    
 H   -2.751500       2.243600      -1.819700    
 H  -0.4213000     -2.1100000E-02   1.522300    
 H   -4.263500      -2.057200      -1.538000    
 H   -1.018000       1.239600       3.084600    
 H   -4.637300      -4.207300     -0.5527000    
 H   -3.633300      -3.741800      0.9405000    
 H   0.2525000       3.495000      0.3561000    
 H   0.9032000      -1.283500       1.100400    
 H    2.301000       4.114000     -0.8844000    
 H    4.861000      0.3309000      -1.383100    
 H    4.687200      -1.978500     -0.7661000    
 H    3.445300      -4.955000      0.5666000    
 H    4.638700      -3.666700      0.6921000    
 H    3.804800      -4.024400     -0.8841000    


%chk=000008549-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008549

0 1
O -0.593208 2.163865 2.444529
O 2.676115 -2.991263 0.184029
N -1.465116 0.085836 -0.636382
N 3.274242 2.541372 -0.689023
C -3.896102 0.142066 0.271478
C -1.576489 1.140140 0.421168
C -2.960009 1.016650 1.156084
C -3.363595 -1.328164 0.343253
C -3.857504 0.667415 -1.191698
C -1.846465 -1.262268 -0.118700
C -2.402076 0.452459 -1.746166
C -0.354467 1.151503 1.390424
C -4.171530 -2.308467 -0.475485
C 0.927068 1.572705 0.685088
C -4.870465 -3.357391 0.027363
C 1.925181 0.636171 0.222862
C 1.147941 2.935269 0.457530
C 3.086415 1.183054 -0.464042
C 1.850263 -0.776457 0.406679
C 2.321914 3.373826 -0.227847
C 4.100924 0.293621 -0.935157
C 2.865273 -1.619819 -0.061939
C 4.006486 -1.084941 -0.743902
C 3.705417 -3.920419 -0.287543
H -4.928963 0.175870 0.661939
H -1.545741 2.110857 -0.110228
H -3.402506 2.015568 1.324081
H -2.856527 0.522830 2.147300
H -3.410207 -1.647105 1.404197
H -4.129717 1.740083 -1.201083
H -4.605344 0.142476 -1.812954
H -1.183706 -1.530425 0.721733
H -1.652077 -1.994818 -0.922079
H -2.371732 -0.364540 -2.490011
H -2.019461 1.363689 -2.238889
H -0.240258 0.153120 1.860451
H -4.161585 -2.156397 -1.567045
H -1.401719 1.904396 2.955202
H -5.425778 -4.044688 -0.620796
H -4.904562 -3.560730 1.105591
H 0.431137 3.670000 0.834452
H 0.999025 -1.242067 0.908674
H 2.487481 4.443730 -0.402917
H 4.957124 0.741556 -1.448626
H 4.800058 -1.741314 -1.112547
H 3.347389 -4.916901 0.010523
H 4.683698 -3.719389 0.190970
H 3.814958 -3.879468 -1.388743


