%chk=000058973.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058973

0 1
 N  -0.7962000       2.424300     -0.2739000    
 N    4.343100     -0.3368000      0.4208000    
 C   0.4556000       1.659100     -0.4305000    
 C    1.551800       2.573300      -1.010600    
 C  -0.6489000       3.617200      0.5673000    
 C    1.752500       3.841100     -0.1858000    
 C   0.4231000       4.557400      1.6200000E-02
 C   0.9493000      0.9445000      0.8371000    
 C   -1.918500       1.603100      0.1715000    
 C    2.206200      0.1759000      0.5929000    
 C   -2.099600      0.3850000     -0.7349000    
 C    2.289000      -1.172500      0.1777000    
 C    3.471800      0.6709000      0.7366000    
 C    3.648700      -1.474300      7.5800002E-02
 C   -3.270100     -0.4600000     -0.2989000    
 C    1.347000      -2.175900     -0.1244000    
 C    4.115400      -2.734500     -0.3148000    
 C   -3.068200      -1.483200      0.6152000    
 C   -4.529100     -0.1997000     -0.8188000    
 C    1.799300      -3.441200     -0.5164000    
 C    3.162700      -3.713900     -0.6095000    
 C   -4.150800      -2.264700       1.018700    
 C   -5.611600     -0.9814000     -0.4151000    
 C   -5.422400      -2.013800      0.5037000    
 H   0.3217000      0.9098000      -1.219700    
 H    1.229500       2.883000      -2.016200    
 H    2.503700       2.066600      -1.182000    
 H  -0.4119000       3.348100       1.603800    
 H   -1.595600       4.171200      0.5935000    
 H    2.456900       4.508000     -0.6957000    
 H    2.193500       3.598400      0.7872000    
 H   0.5591000       5.404500      0.6981000    
 H   8.5600004E-02   4.972600     -0.9421000    
 H   0.1904000      0.2494000       1.214300    
 H    1.125400       1.657900       1.651400    
 H   -1.800800       1.291200       1.217200    
 H   -2.837100       2.203800      0.1344000    
 H   -1.228900     -0.2763000     -0.7391000    
 H   -2.244500      0.7011000      -1.776600    
 H    3.843500       1.640000       1.038500    
 H    5.350500     -0.2581000      0.4393000    
 H   0.2813000      -1.984700     -5.4200001E-02
 H    5.176500      -2.947800     -0.3875000    
 H   -2.083100      -1.684400       1.026100    
 H   -4.686800      0.6032000      -1.533100    
 H    1.077300      -4.219300     -0.7497000    
 H    3.491800      -4.703600     -0.9157000    
 H   -4.003800      -3.067800       1.734900    
 H   -6.602100     -0.7857000     -0.8156000    
 H   -6.265500      -2.621900      0.8182000    


%chk=000058973-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058973

0 1
N -0.711812 2.294481 -0.156495
N 4.617301 -0.547261 0.613002
C 0.631622 1.675404 -0.343590
C 1.554063 2.672260 -1.090242
C -0.683817 3.587195 0.569964
C 1.626958 4.047674 -0.386871
C 0.204258 4.610968 -0.168973
C 1.287094 1.152202 0.993884
C -1.791404 1.379593 0.265270
C 2.471564 0.248689 0.763904
C -2.215187 0.384758 -0.854302
C 2.433622 -1.121080 0.269050
C 3.818583 0.555503 0.961433
C 3.792812 -1.592819 0.184070
C -3.383234 -0.484205 -0.415638
C 1.381359 -2.001372 -0.101550
C 4.117691 -2.894063 -0.259425
C -3.168822 -1.646055 0.371945
C -4.718068 -0.130428 -0.742277
C 1.696981 -3.300266 -0.544142
C 3.051766 -3.741571 -0.624099
C -4.253999 -2.432725 0.818944
C -5.807829 -0.913827 -0.298700
C -5.579429 -2.068520 0.485241
H 0.498185 0.795105 -1.000456
H 1.148835 2.813419 -2.110797
H 2.561815 2.227764 -1.189453
H -0.323567 3.482333 1.625709
H -1.720998 3.968407 0.626262
H 2.231548 4.750016 -0.991996
H 2.141036 3.953506 0.591801
H 0.238763 5.555620 0.408327
H -0.257081 4.831642 -1.151290
H 0.513827 0.602338 1.566860
H 1.587945 2.011882 1.620484
H -1.547302 0.793433 1.186523
H -2.673693 1.996670 0.522006
H -1.354316 -0.254882 -1.127353
H -2.475689 0.978176 -1.749584
H 4.266793 1.477189 1.329515
H 5.632067 -0.582306 0.672594
H 0.335867 -1.676848 -0.041460
H 5.156119 -3.239410 -0.319698
H -2.143045 -1.941269 0.629451
H -4.901076 0.761910 -1.354243
H 0.893901 -3.987189 -0.833768
H 3.266345 -4.757634 -0.973800
H -4.067682 -3.328720 1.422311
H -6.831456 -0.627582 -0.566767
H -6.422515 -2.679005 0.828017


