%chk=000040851.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040851

0 1
 N   -3.175600     -0.3859000      0.1035000    
 N  -0.9637000       2.201600      -1.448500    
 N    3.061700       1.824600      0.2493000    
 C   -1.257300      0.9457000     -0.7468000    
 C   -2.779000      0.8686000     -0.5295000    
 C  -0.4504000      0.8827000      0.5818000    
 C    1.014400      0.9844000      0.4210000    
 C    1.923500     -9.3999997E-02  0.2326000    
 C   -2.740100      -1.527500     -0.7018000    
 C   -4.625000     -0.4257000      0.3012000    
 C    3.201000      0.4604000      0.1278000    
 C    1.744000       2.150900      0.4268000    
 C    1.781600      -1.492900      0.1408000    
 C   -3.089200      -2.842000     -2.4599999E-02
 C   -5.097600      0.7525000       1.135900    
 C    4.348300     -0.3173000     -6.4900003E-02
 C    2.920500      -2.283500     -5.1800001E-02
 C    4.183100      -1.702600     -0.1528000    
 H  -0.9015000      0.1655000      -1.425700    
 H   -3.047200       1.725500      9.9100001E-02
 H   -3.299000      0.9942000      -1.489800    
 H  -0.6844000     -5.1700000E-02   1.106900    
 H  -0.7944000       1.685100       1.249700    
 H   -3.164800      -1.504500      -1.713100    
 H   -1.652100      -1.555000     -0.7997000    
 H   -5.169400     -0.4438000     -0.6514000    
 H   -4.912200      -1.320100      0.8636000    
 H    1.446500       3.183900      0.5423000    
 H   -1.256600       2.993400     -0.8770000    
 H   -1.510200       2.253600      -2.307300    
 H    3.822700       2.488600      0.2128000    
 H   0.8050000      -1.962300      0.2167000    
 H   -2.787800      -2.849000       1.028600    
 H   -4.155700      -3.077600     -9.1799997E-02
 H   -2.558100      -3.662700     -0.5204000    
 H   -4.482300      0.8911000       2.031600    
 H   -5.119400       1.687400      0.5675000    
 H   -6.124900      0.5723000       1.473100    
 H    5.331700      0.1339000     -0.1437000    
 H    2.817000      -3.363000     -0.1236000    
 H    5.054100      -2.335500     -0.3024000    


%chk=000040851-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040851

0 1
N -3.244091 -0.338081 -0.470757
N -1.155215 2.788282 -1.300468
N 3.043806 1.212176 -0.763655
C -1.406049 1.368189 -0.937911
C -2.919896 1.094966 -0.671685
C -0.558121 0.965717 0.289240
C 0.928755 0.859843 0.041607
C 1.836735 -0.081849 0.678628
C -3.335116 -1.090766 -1.752264
C -4.420630 -0.557310 0.413707
C 3.157673 0.160938 0.152740
C 1.703242 1.632005 -0.825647
C 1.662276 -1.115838 1.637414
C -3.023148 -2.591086 -1.592271
C -4.105435 -0.327642 1.904258
C 4.283931 -0.588796 0.558114
C 2.781279 -1.868667 2.044788
C 4.079027 -1.607737 1.511611
H -1.076009 0.750939 -1.796898
H -3.206775 1.654375 0.240437
H -3.510867 1.538656 -1.515758
H -0.949893 -0.009410 0.635653
H -0.767557 1.690526 1.109071
H -4.340667 -0.959840 -2.228565
H -2.600399 -0.653857 -2.453320
H -5.285995 0.084029 0.106053
H -4.748534 -1.604848 0.283769
H 1.367968 2.440328 -1.472344
H -1.275622 3.424580 -0.501502
H -1.707811 3.104672 -2.107535
H 3.808426 1.610600 -1.303117
H 0.670867 -1.325756 2.055488
H -2.006529 -2.725461 -1.184023
H -3.733208 -3.090223 -0.908118
H -3.084048 -3.104966 -2.569998
H -3.290599 -0.999155 2.226989
H -3.787946 0.711830 2.104998
H -4.999043 -0.529795 2.524085
H 5.282802 -0.393055 0.151068
H 2.659130 -2.669409 2.783149
H 4.930484 -2.209802 1.848969


