%chk=000031940.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031940

0 1
 N    1.297500      0.6604000     -0.5435000    
 C  -9.6100003E-02  0.3243000     -0.2578000    
 C   -2.490100       1.110700     -0.4657000    
 C   -1.946500      -1.340600     -0.6987000    
 C   -1.773800     -0.2195000       1.553100    
 C   -1.018700       1.461000     -0.7529000    
 C  -0.4764000     -0.9840000     -0.9851000    
 C  -0.3040000      0.1339000       1.260600    
 C   -2.850000     -0.1971000      -1.191100    
 C   -2.678100      0.9180000       1.048800    
 C   -2.137900      -1.520100      0.8169000    
 C    2.187100     -0.3947000     -8.3099999E-02
 C    3.670200     -4.9600001E-02 -0.3013000    
 C    4.008300       1.257400      0.4212000    
 C    4.608400      -1.160100      0.1785000    
 H   -3.138400       1.920300     -0.8189000    
 H   -2.210700      -2.268900      -1.217600    
 H   -1.915600     -0.3525000       2.631600    
 H  -0.8851000       1.623500      -1.830700    
 H  -0.7619000       2.406500     -0.2570000    
 H   0.1150000      -1.844100     -0.6544000    
 H  -0.3253000     -0.8849000      -2.068000    
 H  -2.5800001E-02   1.045200       1.806100    
 H   0.2879000     -0.6855000       1.679400    
 H   -2.734500     -6.8599999E-02  -2.274300    
 H   -3.902600     -0.4476000      -1.010600    
 H   -3.727600      0.6873000       1.269200    
 H   -2.438900       1.848900       1.577400    
 H   -3.178300      -1.792900       1.032600    
 H   -1.511700      -2.344600       1.179400    
 H    1.426500      0.8052000      -1.544600    
 H    2.024100      -1.331200     -0.6236000    
 H    2.089700     -0.5973000      0.9857000    
 H    3.846300      9.6900001E-02  -1.375100    
 H    5.071200       1.496900      0.3059000    
 H    3.444000       2.103400      1.5900001E-02
 H    3.796200       1.187200       1.493800    
 H    4.394400      -2.098000     -0.3445000    
 H    4.496300      -1.338200       1.253300    
 H    5.654000     -0.8988000     -1.5799999E-02


%chk=000031940-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031940

0 1
N 1.322914 0.478682 -0.537628
C -0.107587 0.168272 -0.259624
C -2.461616 1.114262 -0.584523
C -2.112051 -1.397161 -0.587789
C -1.872785 -0.084203 1.569599
C -0.951241 1.325192 -0.866404
C -0.601289 -1.179356 -0.882003
C -0.363060 0.130411 1.274898
C -2.927443 -0.229900 -1.207335
C -2.693074 1.079882 0.950963
C -2.336796 -1.429979 0.948584
C 2.360345 -0.520117 -0.198717
C 3.779467 0.104202 -0.265033
C 3.960855 1.189609 0.818830
C 4.860110 -0.995900 -0.152409
H -3.036673 1.950568 -1.029288
H -2.440102 -2.357905 -1.032935
H -2.029437 -0.107515 2.666392
H -0.774571 1.372199 -1.962825
H -0.602939 2.283959 -0.435121
H -0.011644 -2.021284 -0.467080
H -0.426134 -1.162355 -1.978262
H -0.006705 1.081854 1.714991
H 0.222373 -0.687400 1.740788
H -2.784893 -0.209499 -2.306902
H -4.009971 -0.379729 -1.020572
H -3.771224 0.944783 1.170539
H -2.382638 2.043567 1.402450
H -3.409034 -1.601991 1.172136
H -1.769850 -2.271040 1.396708
H 1.437208 0.807197 -1.508681
H 2.337899 -1.423275 -0.857934
H 2.182581 -0.877679 0.834093
H 3.884119 0.589416 -1.260786
H 4.914678 1.733888 0.688163
H 3.126241 1.910716 0.774423
H 3.967315 0.731178 1.827507
H 4.770140 -1.740217 -0.966502
H 4.770229 -1.534628 0.811101
H 5.875383 -0.560505 -0.198711


