%chk=000044996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044996

0 1
 N    3.341500     -0.2341000     -0.3408000    
 N    4.886300      -1.960000     -0.4236000    
 N    5.485500     -8.9400001E-02  0.7327000    
 C   -1.936700      5.1600002E-02  0.2600000    
 C  -0.8576000       1.012200     -0.2438000    
 C   -3.352000      0.4401000     -0.1782000    
 C   0.5371000      0.5587000      0.1957000    
 C   -4.473800     -0.4979000      0.2779000    
 C    1.620000       1.503600     -0.3334000    
 C   -5.854900     -9.0499997E-02 -0.2361000    
 C    3.016400       1.111000      0.1360000    
 C   -6.917200      -1.101500      0.1680000    
 C    4.505300     -0.7038000     -1.4600000E-02
 H   -1.902400      7.8999996E-03   1.355500    
 H   -1.719600     -0.9605000     -0.1036000    
 H   -1.057000       2.020600      0.1380000    
 H  -0.8990000       1.065900      -1.338400    
 H   -3.569300       1.450900      0.1896000    
 H   -3.371700      0.5002000      -1.274000    
 H   0.5826000      0.5240000       1.290900    
 H   0.7162000     -0.4597000     -0.1685000    
 H   -4.487900     -0.5338000       1.374200    
 H   -4.244600      -1.513500     -6.8200000E-02
 H    1.591600       1.508000      -1.430100    
 H    1.409500       2.527300     -1.2000001E-03
 H   -6.121000      0.8966000      0.1588000    
 H   -5.835700     -9.1000004E-03  -1.329000    
 H    3.733600       1.839100     -0.2616000    
 H    3.051100       1.150100       1.231600    
 H   -7.897600     -0.7904000     -0.2059000    
 H   -6.694900      -2.090900     -0.2443000    
 H   -6.980900      -1.188900       1.257300    
 H    4.268900      -2.538300     -0.9831000    
 H    5.791600      -2.345800     -0.1784000    
 H    6.364900     -0.5566000      0.9261000    
 H    5.370700      0.8428000       1.114000    


%chk=000044996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044996

0 1
N 3.444060 -0.060100 -0.498967
N 4.702870 -2.047052 -0.517984
N 5.409703 -0.324704 0.912777
C -1.918553 0.098339 0.254640
C -0.827392 1.051092 -0.284017
C -3.334101 0.422730 -0.273648
C 0.590163 0.700451 0.219080
C -4.424369 -0.529575 0.267493
C 1.679159 1.657846 -0.307740
C -5.838173 -0.213527 -0.271766
C 3.102190 1.238078 0.119105
C -6.920203 -1.171353 0.272614
C 4.469277 -0.741980 -0.047207
H -1.923252 0.136847 1.364449
H -1.656275 -0.945702 -0.017334
H -1.078099 2.094464 0.003994
H -0.835289 1.025729 -1.394122
H -3.595258 1.468428 -0.005779
H -3.328448 0.379802 -1.383244
H 0.598795 0.709500 1.330504
H 0.855905 -0.328780 -0.091924
H -4.437070 -0.481243 1.376820
H -4.159542 -1.575984 0.006479
H 1.645797 1.679977 -1.414805
H 1.480065 2.689660 0.050027
H -6.102124 0.831839 -0.010227
H -5.823180 -0.261294 -1.379969
H 3.816798 2.029296 -0.207254
H 3.145898 1.202489 1.237176
H -7.921627 -0.922923 -0.125169
H -6.696474 -2.219163 -0.004252
H -6.972837 -1.121823 1.376881
H 4.003398 -2.385066 -1.177807
H 5.664353 -2.357176 -0.656315
H 5.910479 -1.013653 1.470052
H 5.372355 0.630430 1.256936


