%chk=000106512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106512

1 1
 N   -5.316800      -1.023900      0.2378000    
 N    3.798800      -3.797400     -1.1400000E-02
 N    2.055200       5.452400     -0.1698000    
 C  -0.2036000      0.2428000      0.2203000    
 C   -1.356400     -1.2200000E-02 -0.7519000    
 C   0.8687000     -0.8396000      0.1582000    
 C   0.4018000       1.639000      0.1157000    
 C   -1.843400      -1.430300     -0.6155000    
 C   -2.446300       1.004400     -0.5389000    
 C   -3.099900      -1.771100     -0.3052000    
 C   -3.712100      0.7013000     -0.2274000    
 C    1.063000      -1.645400       1.259400    
 C    1.608400     -0.9761000     -0.9970000    
 C   -4.110900     -0.7154000     -7.8100003E-02
 C   0.8442000       2.257800       1.264900    
 C   0.4856000       2.234700      -1.124300    
 C    2.807200      -2.795700      4.6300001E-02
 C    2.044000      -2.635400       1.202800    
 C    2.589400      -1.966100      -1.053600    
 C    1.397500       3.534700       1.169300    
 C    1.039000       3.511600      -1.219700    
 C    1.494900       4.161600     -7.2899997E-02
 C   -6.349200      1.8400000E-02  0.4708000    
 C   -5.742400      -2.439300      0.3869000    
 C    3.648700      -5.023000      0.7474000    
 C    4.973700      -3.619600     -0.8411000    
 C    3.060900       5.931800      0.7269000    
 H  -0.6501000      0.1943000       1.228200    
 H   -1.030700      7.3100001E-02  -1.795900    
 H   -1.151600      -2.241600     -0.8274000    
 H   -2.214200       2.057600     -0.6707000    
 H   0.4771000      -1.529000       2.166100    
 H    1.446800     -0.3527000      -1.869600    
 H   -3.349700      -2.823500     -0.2500000    
 H   -4.421100       1.510900     -0.1060000    
 H   0.7727000       1.777800       2.236100    
 H   0.1646000       1.759300      -2.043300    
 H    2.196100      -3.256700       2.080800    
 H    3.155500      -2.073900      -1.974300    
 H    1.736400       4.017400       2.081500    
 H    1.114000       3.987200      -2.194300    
 H   -6.497500      0.5847000     -0.4532000    
 H   -7.297900     -0.4512000      0.7449000    
 H   -6.029900      0.6586000       1.298200    
 H   -5.620800      -2.950100     -0.5727000    
 H   -5.151900      -2.907900       1.179500    
 H   -6.797400      -2.483400      0.6709000    
 H    1.982600       5.904300      -1.075700    
 H    4.299500      -5.812800      0.3557000    
 H    3.918400      -4.865300       1.796800    
 H    2.623000      -5.405100      0.6935000    
 H    5.369600      -2.600600     -0.7639000    
 H    5.780500      -4.294000     -0.5328000    
 H    4.745300      -3.837800      -1.889600    
 H    3.898900       5.231000      0.8021000    
 H    2.653500       6.116000       1.726000    
 H    3.458200       6.883700      0.3598000    


%chk=000106512-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106512

1 1
N -5.409730 -0.895779 0.334537
N 3.872447 -4.097928 -0.128290
N 2.083262 5.559608 -0.297467
C -0.005434 0.193744 0.313936
C -1.313164 -0.074866 -0.719137
C 1.019870 -0.915335 0.165831
C 0.508675 1.610812 0.112961
C -1.857657 -1.448252 -0.574155
C -2.340827 0.985292 -0.552548
C -3.165771 -1.714151 -0.233268
C -3.647170 0.726917 -0.199522
C 0.993464 -2.021909 1.058137
C 2.029182 -0.915061 -0.835108
C -4.116749 -0.636138 -0.020744
C 0.731171 2.433675 1.246931
C 0.802795 2.168105 -1.163414
C 2.940255 -3.069022 -0.036257
C 1.921543 -3.071764 0.974804
C 2.963560 -1.956288 -0.942579
C 1.254641 3.735266 1.135226
C 1.314538 3.467373 -1.299090
C 1.565340 4.280685 -0.148215
C -6.380496 0.208591 0.537638
C -5.889556 -2.290441 0.501068
C 3.849638 -5.207943 0.838495
C 4.908367 -4.066795 -1.173939
C 2.373703 6.460439 0.818551
H -0.449923 0.119851 1.324214
H -0.806145 0.028146 -1.701140
H -1.162743 -2.282272 -0.722026
H -2.014719 2.022783 -0.685052
H 0.235429 -2.052851 1.852445
H 2.115996 -0.068701 -1.523651
H -3.487307 -2.753292 -0.129273
H -4.337370 1.563468 -0.066223
H 0.510991 2.039278 2.246962
H 0.621297 1.590616 -2.079659
H 1.868558 -3.886197 1.701819
H 3.731074 -1.896521 -1.718508
H 1.426201 4.325278 2.040121
H 1.526956 3.867019 -2.298465
H -6.529999 0.783202 -0.394104
H -7.348886 -0.212109 0.841074
H -6.039310 0.894987 1.332748
H -5.825290 -2.849656 -0.449734
H -5.303036 -2.821931 1.271247
H -6.940355 -2.275831 0.821270
H 2.296238 5.879960 -1.240930
H 4.667894 -5.907505 0.611331
H 3.988018 -4.847606 1.877124
H 2.897103 -5.771969 0.791257
H 5.566015 -3.180715 -1.072828
H 5.537099 -4.966048 -1.093190
H 4.462878 -4.053943 -2.187951
H 3.116794 6.024952 1.515812
H 1.461052 6.707463 1.396340
H 2.789493 7.401613 0.425184


