%chk=000034580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034580

0 1
 S   0.2728000     -0.9809000       1.830500    
 N    1.086500       1.209100     -0.2922000    
 N    2.847300       3.479400      2.9899999E-02
 N   -5.860200       1.349700      -1.061700    
 C   5.5799998E-02  0.4514000     -0.9991000    
 C    2.280600       1.372700      -1.130200    
 C   0.5736000       2.518100      0.1307000    
 C    3.360900       2.170600     -0.3922000    
 C    1.654400       3.314800      0.8695000    
 C   0.5892000     -0.8691000      -1.578400    
 C   -1.211500      0.2404000     -0.1964000    
 C    1.009800      -2.047500     -0.7196000    
 C   -1.221000     -0.4191000       1.043900    
 C    3.877800       4.238600      0.7354000    
 C   -2.432900      0.6904000     -0.7305000    
 C   0.8978000      -2.191400      0.6755000    
 C    1.557000      -3.128300      -1.453900    
 C   -2.432000     -0.6017000       1.728900    
 C   -3.632700      0.4987000     -4.6000000E-02
 C    1.347000      -3.384300       1.282900    
 C   -3.632100     -0.1477000       1.184100    
 C    1.989000      -4.302100     -0.8397000    
 C    1.884600      -4.429600      0.5345000    
 C   -4.861700      0.9680000     -0.6057000    
 H  -0.2236000       1.048000      -1.882100    
 H    2.038800       1.865300      -2.081500    
 H    2.752700      0.4115000      -1.353800    
 H  -0.2689000       2.415500      0.8236000    
 H   0.2181000       3.098600     -0.7318000    
 H    3.720500       1.594700      0.4717000    
 H    4.212500       2.308400      -1.069700    
 H    1.243300       4.299100       1.125000    
 H    1.905200       2.810300       1.812700    
 H    1.373500     -0.6758000      -2.320800    
 H  -0.2379000      -1.269500      -2.189100    
 H    3.504100       5.231600       1.008700    
 H    4.748200       4.397400      8.9000002E-02
 H    4.213800       3.733400       1.648100    
 H   -2.444000       1.195200      -1.695400    
 H    1.648400      -3.054700      -2.536900    
 H   -2.455500      -1.098700       2.696500    
 H    1.281500      -3.517500       2.362100    
 H   -4.556500     -0.3040000       1.734800    
 H    2.404300      -5.108900      -1.435700    
 H    2.219300      -5.337200       1.027500    


%chk=000034580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000034580

0 1
S -0.391027 -1.461132 1.765837
N 0.863239 0.918246 -0.436933
N 2.880912 2.950448 0.089410
N -5.943592 2.375046 -0.976129
C -0.273804 0.266831 -1.146102
C 2.046156 1.088990 -1.322861
C 0.508518 2.226405 0.178411
C 3.237012 1.655343 -0.533848
C 1.701490 2.783293 0.969866
C 0.088229 -1.184633 -1.625495
C -1.545954 0.246947 -0.304985
C 1.052567 -1.965530 -0.747539
C -1.680678 -0.503956 0.895798
C 4.021923 3.571599 0.788089
C -2.667611 0.971081 -0.766636
C 0.927745 -2.113512 0.656757
C 2.154479 -2.610815 -1.373544
C -2.909939 -0.488455 1.611442
C -3.898146 0.991171 -0.058982
C 1.877514 -2.865724 1.396458
C -4.008619 0.253186 1.151337
C 3.096866 -3.371708 -0.652831
C 2.957866 -3.494936 0.748059
C -5.014439 1.746207 -0.559434
H -0.527170 0.844913 -2.074325
H 1.811262 1.779340 -2.172852
H 2.337203 0.110297 -1.739027
H -0.342540 2.084541 0.865725
H 0.208940 2.974488 -0.598322
H 3.547929 0.899669 0.232512
H 4.088081 1.813401 -1.223030
H 1.429480 3.769490 1.390786
H 1.918484 2.089170 1.822250
H 0.522255 -1.127086 -2.639922
H -0.863640 -1.739752 -1.736447
H 3.722776 4.558805 1.184044
H 4.853971 3.726402 0.077658
H 4.405525 2.957344 1.642333
H -2.578311 1.545130 -1.695465
H 2.262299 -2.508703 -2.460883
H -3.002577 -1.077294 2.530293
H 1.765850 -2.961986 2.482764
H -4.949567 0.253119 1.709586
H 3.927637 -3.858219 -1.174443
H 3.679207 -4.074559 1.333724


