%chk=000031056.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031056

0 1
 N  -0.6344000     -0.1708000      0.3174000    
 N   -4.367800     -0.3401000      0.1528000    
 C    2.056900      0.7752000     -0.3387000    
 C    1.805900     -0.5910000      0.3233000    
 C   0.9222000       1.736900      2.3900000E-02
 C    3.427000       1.331300      6.2799998E-02
 C    2.916300      -1.580400     -5.2099999E-02
 C   0.4181000      -1.125600     -6.3699998E-02
 C    4.543300      0.3466000     -0.2823000    
 C    4.293600      -1.033400      0.3215000    
 C  -0.4392000       1.132900     -0.3317000    
 C   -1.955500     -0.7099000     -4.6000001E-03
 C   -3.062000      0.2000000      0.5085000    
 C   -4.486000     -0.4911000      -1.298900    
 C   -5.438300      0.5194000      0.6618000    
 H    2.052100      0.6437000      -1.430600    
 H    1.827100     -0.4624000       1.415900    
 H    1.051100       2.685400     -0.5109000    
 H   0.9526000       1.968700       1.096600    
 H    3.447100       1.540100       1.139900    
 H    3.610900       2.282800     -0.4499000    
 H    2.887100      -1.786500      -1.129500    
 H    2.755700      -2.536600      0.4599000    
 H   0.3822000      -1.336200      -1.141200    
 H   0.2552000      -2.076500      0.4590000    
 H   -1.167500       1.874300      5.1000002E-03
 H  -0.5311000       1.047900      -1.422500    
 H    5.069900      -1.729100     -1.6400000E-02
 H    4.375000     -0.9711000       1.413800    
 H    5.502500      0.7372000      7.5599998E-02
 H    4.622900      0.2561000      -1.372700    
 H   -2.002700     -0.8558000      -1.089100    
 H   -2.072000      -1.697300      0.4617000    
 H   -2.979100      0.2801000       1.600200    
 H   -2.997400       1.213300      0.1021000    
 H   -4.190700      0.4134000      -1.843200    
 H   -3.912100      -1.345700      -1.669700    
 H   -5.523800     -0.7162000      -1.574700    
 H   -5.410200       1.522500      0.2207000    
 H   -6.419100      7.7799998E-02  0.4528000    
 H   -5.367300      0.6188000       1.750800    


%chk=000031056-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031056

0 1
N -0.618616 0.006020 -0.014073
N -4.401492 -0.391679 0.193187
C 2.207399 0.816361 -0.352469
C 1.805732 -0.548320 0.269640
C 1.072317 1.840396 -0.129408
C 3.569555 1.295297 0.201784
C 2.906918 -1.607988 0.032346
C 0.438386 -1.004334 -0.276191
C 4.676728 0.236661 -0.019155
C 4.273174 -1.132723 0.581086
C -0.277509 1.305585 -0.649463
C -1.959977 -0.497761 -0.401721
C -3.106420 0.332886 0.215148
C -4.927242 -0.605479 -1.171285
C -5.403071 0.256600 1.064628
H 2.319631 0.659632 -1.450721
H 1.689768 -0.396978 1.364752
H 1.310197 2.795027 -0.640165
H 0.979058 2.055275 0.953752
H 3.465477 1.497403 1.288945
H 3.854631 2.254648 -0.275420
H 2.998083 -1.804034 -1.057304
H 2.618351 -2.567596 0.506920
H 0.539654 -1.215745 -1.376591
H 0.139116 -1.951503 0.212532
H -1.079522 2.031821 -0.427243
H -0.225452 1.200002 -1.768073
H 5.054885 -1.887901 0.368237
H 4.208691 -1.039632 1.685180
H 5.631283 0.582028 0.423888
H 4.853389 0.117412 -1.108618
H -2.064519 -0.550219 -1.516685
H -2.064630 -1.527404 -0.011500
H -2.837180 0.523613 1.270402
H -3.192787 1.328764 -0.294371
H -5.125318 0.351729 -1.721164
H -4.216018 -1.201262 -1.767612
H -5.875796 -1.169214 -1.114685
H -5.682979 1.289798 0.731854
H -6.324494 -0.353084 1.088431
H -5.010900 0.324600 2.094908


