%chk=000017545.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017545

0 1
 O    2.065600      8.0700003E-02  -1.231500    
 N  -0.3241000      6.9499999E-02  9.9500000E-02
 N    3.047600       1.205000      0.5481000    
 N    4.330800      0.9227000      0.1254000    
 C   -1.627100      0.3845000      0.6756000    
 C   0.1498000      -1.229700      0.5788000    
 C   -2.226400       1.679200      0.1002000    
 C  -0.8030000      -2.377700      0.2034000    
 C   0.6474000       1.115500      0.4219000    
 C   -2.354400       1.557900      -1.420700    
 C   -3.591800       2.014500      0.7061000    
 C  -0.9801000      -2.425700      -1.316700    
 C  -0.3119000      -3.737200      0.7074000    
 C    1.977600      0.7407000     -0.1973000    
 H   -1.562700      0.4672000       1.769000    
 H   -2.368100     -0.3908000      0.4634000    
 H   0.2622000      -1.210700       1.672300    
 H    1.132100      -1.506100      0.1840000    
 H   -1.585200       2.536800      0.3300000    
 H   -1.784400      -2.248100      0.6695000    
 H   0.7513000       1.250600       1.505500    
 H   0.3908000       2.079400     -2.8000001E-02
 H   -2.980000      0.7036000      -1.701700    
 H   -2.815900       2.458900      -1.840100    
 H   -1.380400       1.443000      -1.906600    
 H   -4.322200       1.225000      0.4995000    
 H   -3.981500       2.953100      0.2980000    
 H   -3.513500       2.127200       1.792400    
 H  -1.7400000E-02  -2.545900      -1.825800    
 H   -1.615000      -3.271600      -1.603100    
 H   -1.460000      -1.522000      -1.703800    
 H   0.6591000      -3.994700      0.2710000    
 H   -1.021100      -4.530700      0.4491000    
 H  -0.2011000      -3.727000       1.796800    
 H    2.932400       1.750300       1.396500    
 H    4.791800      0.4299000      0.8891000    
 H    4.814800       1.815000      3.3599999E-02


%chk=000017545-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000017545

0 1
O 1.671712 1.120694 -1.387780
N -0.405551 0.148460 0.601974
N 3.068996 0.819833 0.442307
N 4.268370 0.734140 -0.315797
C -1.763405 0.599704 0.980436
C -0.083690 -1.241019 1.005415
C -2.344045 1.718478 0.074097
C -0.676397 -2.315449 0.054880
C 0.659269 1.120778 0.877380
C -2.378102 1.281859 -1.406379
C -3.745760 2.123465 0.588145
C -0.015060 -2.236831 -1.338947
C -0.524200 -3.721361 0.680736
C 1.817057 1.017093 -0.136069
H -1.803641 0.940379 2.048662
H -2.435745 -0.276606 0.906645
H -0.422891 -1.445634 2.052878
H 1.018854 -1.357779 1.001499
H -1.688346 2.612402 0.149592
H -1.759723 -2.104828 -0.064639
H 1.059692 1.047837 1.923491
H 0.247641 2.140069 0.766742
H -3.043185 0.405287 -1.538175
H -2.758773 2.096702 -2.050172
H -1.366472 1.002362 -1.747369
H -4.451056 1.272616 0.517195
H -4.160298 2.952227 -0.014228
H -3.715066 2.452219 1.644845
H 1.043387 -2.561216 -1.284664
H -0.531307 -2.892358 -2.064688
H -0.033766 -1.200226 -1.717587
H 0.544116 -3.964070 0.844911
H -0.942785 -4.496956 0.013562
H -1.042703 -3.793246 1.656026
H 3.177905 0.714633 1.452393
H 4.203392 -0.041151 -0.991692
H 4.437575 1.619792 -0.814825


