%chk=000040850.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040850

0 1
 N    2.105700       1.874100      0.3023000    
 N   -2.003000       1.790000      -1.229200    
 N   -3.772900      -1.167100      0.2265000    
 C   -2.092200      0.4661000     -0.6008000    
 C   -1.228200      0.4368000      0.6928000    
 C   0.2007000      0.7503000      0.4890000    
 C    1.239000     -0.1790000      0.2003000    
 C   -3.578500      0.1657000     -0.3371000    
 C    2.423600      0.5519000      8.8100001E-02
 C   0.7647000       2.004000      0.5453000    
 C    1.284600      -1.576100      2.3300000E-02
 C    3.656600     -4.6999998E-02 -0.1936000    
 C    2.511000      -2.188800     -0.2587000    
 C    3.677400      -1.434000     -0.3652000    
 C   -5.188400      -1.446900      0.4169000    
 H   -1.692300     -0.2689000      -1.310900    
 H   -1.299600     -0.5522000       1.160900    
 H   -1.651400       1.138900       1.424900    
 H   -3.994300      0.9202000      0.3439000    
 H   -4.129000      0.2385000      -1.284300    
 H   0.3348000       2.977400      0.7374000    
 H    2.767300       2.637800      0.2830000    
 H   -2.378300       2.497400     -0.5983000    
 H   -2.587000       1.815600      -2.064200    
 H   0.3847000      -2.179400      0.1012000    
 H   -3.303200      -1.234600       1.128000    
 H    4.565300      0.5397000     -0.2766000    
 H    2.552200      -3.266000     -0.3966000    
 H    4.619100      -1.930400     -0.5851000    
 H   -5.307900      -2.450900      0.8361000    
 H   -5.730100      -1.422500     -0.5342000    
 H   -5.649600     -0.7364000       1.110600    


%chk=000040850-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040850

0 1
N 2.318700 1.871638 0.289192
N -2.201967 2.077402 -1.187673
N -3.432844 -1.236489 0.288223
C -2.112846 0.771581 -0.501898
C -1.282947 0.938852 0.809007
C 0.199537 1.051233 0.569250
C 1.089393 -0.051762 0.238065
C -3.512077 0.146045 -0.228239
C 2.412896 0.492491 0.069535
C 0.984766 2.200820 0.587463
C 0.891896 -1.448271 0.062888
C 3.526599 -0.313449 -0.254467
C 1.999005 -2.257107 -0.260936
C 3.302161 -1.696463 -0.416577
C -4.708849 -1.978252 0.279086
H -1.568914 0.077264 -1.168111
H -1.468554 0.070657 1.473757
H -1.661970 1.832288 1.343897
H -4.091038 0.836938 0.442911
H -4.061542 0.109443 -1.190107
H 0.689032 3.231505 0.772445
H 3.090901 2.531547 0.239532
H -2.800343 2.758790 -0.707466
H -2.402582 2.022777 -2.190163
H -0.107530 -1.887161 0.167349
H -2.980624 -1.274596 1.210234
H 4.529493 0.111365 -0.378204
H 1.862711 -3.335533 -0.400714
H 4.142989 -2.352492 -0.669341
H -4.553717 -2.989137 0.696801
H -5.057276 -2.098996 -0.763495
H -5.533663 -1.488725 0.853456


