%chk=000045651.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045651

2 1
 N   -5.500400      3.2400001E-02 -0.3389000    
 N    4.789100      4.0899999E-02 -0.3965000    
 C   -4.093000      4.5800000E-02 -0.8052000    
 C   -3.167600      7.9999998E-04  0.4024000    
 C   -1.699800     -3.4200002E-02 -3.4400001E-02
 C   -5.805200      -1.253800      0.4423000    
 C   -5.781700       1.227400      0.5833000    
 C   -6.470500      0.1091000      -1.526500    
 C  -0.7242000     -0.1134000       1.145300    
 C    3.396900      1.9000000E-03 -7.1000000E-03
 C   0.7274000     -7.2700001E-02  0.7394000    
 C    5.009800     -0.5787000      -1.805800    
 C    5.689700     -0.7324000      0.6087000    
 C    5.413100       1.469500     -0.4807000    
 C    2.734500      -1.221600      9.2399999E-02
 C    2.716500       1.187800      0.2688000    
 C    1.391600      -1.259200      0.4680000    
 C    1.373700       1.150300      0.6444000    
 H   -3.938900     -0.8210000      -1.458900    
 H   -3.932200      0.9581000      -1.392200    
 H   -3.287600      0.8809000       1.041300    
 H   -3.334900     -0.8871000       1.018200    
 H   -1.535900     -0.8941000     -0.6967000    
 H   -1.480900      0.8618000     -0.6297000    
 H   -5.460000      -2.107500     -0.1479000    
 H   -5.322900      -1.222400       1.421900    
 H   -6.888600      -1.312100      0.5889000    
 H   -6.863600       1.286700      0.7400000    
 H   -5.297300       1.076700       1.551000    
 H   -5.423500       2.136300      9.1100000E-02
 H   -6.287500     -0.7564000      -2.170000    
 H   -7.496300      9.5799997E-02  -1.146500    
 H   -6.272800       1.039500      -2.066700    
 H  -0.9148000      -1.029900       1.719200    
 H  -0.9233000      0.7110000       1.843000    
 H    4.735400      -1.636600      -1.776000    
 H    4.385300     -2.9800000E-02  -2.517300    
 H    6.068600     -0.4804000      -2.064600    
 H    5.401500      -1.787100      0.6042000    
 H    6.730900     -0.6331000      0.2869000    
 H    5.546900     -0.2899000       1.599200    
 H    6.460400       1.368500     -0.7844000    
 H    4.869500       2.043900      -1.237200    
 H    5.366000       1.930500      0.5108000    
 H    3.235700      -2.162600     -0.1152000    
 H    3.172600       2.169700      0.2098000    
 H   0.8834000      -2.216500      0.5410000    
 H   0.8509000       2.078800      0.8555000    


%chk=000045651-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045651

2 1
N -5.674558 0.063527 -0.288902
N 4.970438 0.060779 -0.442234
C -4.162282 0.084389 -0.653044
C -3.180289 -0.092043 0.518271
C -1.715285 -0.029470 0.002216
C -6.064890 -1.268985 0.350335
C -6.023079 1.208453 0.662208
C -6.471765 0.240522 -1.585822
C -0.698484 -0.199963 1.168983
C 3.488025 0.024075 -0.059055
C 0.756052 -0.124788 0.723191
C 5.186535 -0.688374 -1.767845
C 5.801541 -0.606001 0.668379
C 5.498171 1.485643 -0.625814
C 2.871127 -1.236357 0.109016
C 2.755388 1.210335 0.151114
C 1.516591 -1.301077 0.494984
C 1.399587 1.124067 0.539463
H -4.025293 -0.720805 -1.397356
H -3.993152 1.052350 -1.158438
H -3.318239 0.702483 1.275732
H -3.334876 -1.064632 1.022057
H -1.544485 -0.821996 -0.752580
H -1.534965 0.939364 -0.504053
H -5.771050 -2.090691 -0.320560
H -5.561756 -1.375708 1.321438
H -7.155312 -1.284371 0.500300
H -7.111336 1.213375 0.827341
H -5.508412 1.062491 1.622004
H -5.712693 2.161537 0.207251
H -6.236900 -0.588723 -2.270292
H -7.547047 0.235795 -1.351508
H -6.197270 1.199629 -2.050680
H -0.883755 -1.170978 1.665738
H -0.891420 0.586169 1.924506
H 4.869446 -1.733868 -1.657493
H 4.587772 -0.198776 -2.549745
H 6.256503 -0.650639 -2.023805
H 5.490968 -1.653665 0.779560
H 6.865996 -0.558760 0.391162
H 5.625461 -0.065824 1.610135
H 6.557067 1.420469 -0.917728
H 4.929895 1.990836 -1.420001
H 5.415555 2.036163 0.322192
H 3.417287 -2.173812 -0.038910
H 3.200787 2.200882 0.036820
H 1.056240 -2.284768 0.638084
H 0.848163 2.053339 0.721987


