%chk=000068853.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068853

0 1
 N   -4.111900      -1.528900     -0.4030000    
 N    3.986300      0.3273000     -0.5768000    
 N   -2.068900      0.8761000       1.154500    
 N   -1.715200       3.084200      0.4239000    
 N    3.483200      -3.548900      0.6686000    
 C    2.747400      0.8787000     -0.3464000    
 C    1.941600     -0.1253000      0.1859000    
 C   0.1186000       1.489500      0.3000000    
 C    2.288300       2.182900     -0.5696000    
 C   0.9559000       2.485800     -0.2400000    
 C   -4.163100     -0.2286000       1.706100    
 C   -3.793200      -1.547000       1.019600    
 C    2.736700      -1.311300      0.2716000    
 C   0.6055000      0.1854000      0.5142000    
 C   -3.488000       1.008100       1.114200    
 C    4.006300     -0.9974000     -0.2110000    
 C   -1.194500       1.850100      0.6078000    
 C   -5.545000      -1.310100     -0.6075000    
 C   -3.693300      -2.778100      -1.041400    
 C    3.207200       3.215600      -1.144600    
 C   0.4361000       3.769800     -0.4381000    
 C    2.499600      -2.618400      0.7128000    
 C    5.037100      -1.930700     -0.2690000    
 C  -0.8851000       4.012500     -9.4800003E-02
 C   -5.881300      -1.222600      -2.086600    
 C   -2.207600      -3.025800     -0.8415000    
 C    4.697200      -3.192900      0.1910000    
 H   -5.247100     -7.8900002E-02   1.749600    
 H   -3.854300     -0.3155000       2.757700    
 H   -4.313600      -2.368900       1.529500    
 H   -2.724200      -1.699000       1.195300    
 H  -1.6400000E-02 -0.6073000      0.9188000    
 H   -3.800500       1.882200       1.698100    
 H   -3.830000       1.168600      8.5299999E-02
 H    4.780500      0.8188000     -0.9615000    
 H   -1.665800      0.2672000       1.858800    
 H   -6.151000      -2.093300     -0.1348000    
 H   -5.862200     -0.3515000     -0.1872000    
 H   -4.263000      -3.639600     -0.6706000    
 H   -3.840500      -2.724600      -2.124900    
 H    3.326300       4.051600     -0.4469000    
 H    4.209900       2.830800      -1.349100    
 H    2.813200       3.590300      -2.095500    
 H    1.020200       4.586600     -0.8489000    
 H    1.544100      -2.949500       1.102000    
 H    6.024100      -1.691900     -0.6428000    
 H   -1.322300       4.995800     -0.2343000    
 H   -6.898500     -0.8333000      -2.208900    
 H   -5.862100      -2.199500      -2.579300    
 H   -5.206500     -0.5420000      -2.616900    
 H   -1.872900      -3.811500      -1.528600    
 H   -1.972000      -3.378800      0.1672000    
 H   -1.611700      -2.132100      -1.057300    
 H    5.433800      -3.991000      0.1863000    


%chk=000068853-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068853

0 1
N -4.827023 -1.427677 -0.481327
N 4.543823 0.386190 -0.241278
N -1.787916 0.362120 1.119883
N -1.730325 2.181199 -0.342312
N 4.550946 -3.030847 2.208032
C 3.176829 0.746463 -0.235879
C 2.472171 -0.210243 0.591608
C 0.393991 0.987971 0.138196
C 2.540040 1.806660 -0.892330
C 1.116779 1.927533 -0.707628
C -3.874408 -0.818835 1.769792
C -3.922978 -1.851701 0.618296
C 3.466095 -1.162481 1.079598
C 1.089936 -0.083042 0.768567
C -3.236172 0.518333 1.346444
C 4.736489 -0.756251 0.541386
C -1.050957 1.195094 0.296861
C -6.251881 -1.748728 -0.200761
C -4.377049 -1.886021 -1.823588
C 3.298729 2.786922 -1.766681
C 0.359554 2.962710 -1.358270
C 3.432644 -2.306728 1.906748
C 5.905065 -1.486007 0.837456
C -1.018284 3.028273 -1.160500
C -7.238697 -0.832171 -0.949936
C -3.170378 -1.089077 -2.356077
C 5.746063 -2.613176 1.676246
H -4.900549 -0.611754 2.129559
H -3.326608 -1.256737 2.632888
H -4.214637 -2.851394 1.027221
H -2.903240 -1.964046 0.207270
H 0.564194 -0.823756 1.381025
H -3.422562 1.298752 2.114040
H -3.692387 0.868455 0.406774
H 5.277029 0.881245 -0.742613
H -1.290830 -0.270883 1.745511
H -6.481965 -2.821327 -0.430444
H -6.416764 -1.624018 0.886122
H -4.139727 -2.981183 -1.821995
H -5.221401 -1.752032 -2.523976
H 3.179180 3.825087 -1.404170
H 4.381622 2.575503 -1.796485
H 2.932825 2.763457 -2.810482
H 0.848943 3.691074 -2.008973
H 2.496471 -2.668557 2.347851
H 6.891172 -1.212718 0.449678
H -1.618848 3.797967 -1.659050
H -8.281214 -1.079368 -0.674474
H -7.149956 -0.936568 -2.046344
H -7.043102 0.223648 -0.693760
H -2.895570 -1.437133 -3.369609
H -2.280569 -1.200307 -1.710399
H -3.413810 -0.013421 -2.400302
H 6.616616 -3.222766 1.943590


