%chk=000021181.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021181

0 1
 S    3.357600       2.162300     -0.6954000    
 N   0.2276000      -2.732300      0.3550000    
 N   -3.892500       1.436700     -0.2183000    
 C   -2.021700      0.1178000      0.7437000    
 C   -2.845200      0.4590000     -0.5282000    
 C  -0.9171000     -0.8383000      0.5261000    
 C   0.4247000     -0.5172000      0.1780000    
 C    1.121800      -1.723100      7.6800004E-02
 C   -1.007100      -2.207500      0.6276000    
 C   -3.506800     -0.7790000      -1.133800    
 C    1.115500      0.6874000     -6.1500002E-02
 C    2.480300      -1.785000     -0.2533000    
 C    2.474600      0.6409000     -0.3925000    
 C    3.144500     -0.5773000     -0.4864000    
 C   -3.317000       2.633500      0.3721000    
 C    3.160600       3.022300      0.8902000    
 H   -2.695900     -0.2795000       1.515600    
 H   -1.574300       1.019400       1.176900    
 H   -2.173300      0.8801000      -1.288400    
 H   -1.836900      -2.856800      0.8701000    
 H   -4.146200     -0.5068000      -1.981800    
 H   -4.129100      -1.302700     -0.3996000    
 H   -2.762400      -1.483000      -1.518300    
 H   0.4512000      -3.717900      0.3574000    
 H   -4.377300       1.686900      -1.080200    
 H   0.5849000       1.633500      4.4999998E-03
 H    3.002500      -2.733000     -0.3264000    
 H    4.201400     -0.6109000     -0.7434000    
 H   -3.066300       2.495800       1.428000    
 H   -4.067500       3.431600      0.3473000    
 H   -2.443700       2.999000     -0.1788000    
 H    3.746600       3.944900      0.8719000    
 H    3.521200       2.395700       1.710400    
 H    2.113000       3.281400       1.063700    


%chk=000021181-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021181

0 1
S 2.926855 2.472922 -0.803524
N 0.342556 -2.802746 0.521427
N -3.931823 1.427073 -0.189858
C -2.269987 -0.119287 0.836682
C -2.870593 0.436399 -0.494410
C -1.049177 -0.983419 0.644898
C 0.280530 -0.536955 0.253458
C 1.130394 -1.698854 0.183672
C -0.965091 -2.367245 0.798947
C -3.466239 -0.695961 -1.351631
C 0.835616 0.738658 -0.034859
C 2.495396 -1.616228 -0.172110
C 2.196750 0.825537 -0.384051
C 3.018297 -0.340239 -0.460257
C -3.467949 2.759537 0.241031
C 3.740205 2.887658 0.855937
H -3.072465 -0.678094 1.353421
H -2.013928 0.738883 1.488788
H -2.035070 0.909247 -1.071845
H -1.740327 -3.073356 1.092079
H -3.819867 -0.314030 -2.328714
H -4.324277 -1.157937 -0.827508
H -2.709947 -1.475434 -1.544192
H 0.665269 -3.766179 0.570021
H -4.606773 1.491755 -0.962346
H 0.224730 1.646242 0.011063
H 3.131866 -2.506004 -0.232989
H 4.065700 -0.231289 -0.760329
H -3.001343 2.704000 1.241410
H -4.333149 3.440924 0.324852
H -2.722568 3.225475 -0.450501
H 4.231025 3.865744 0.727162
H 4.489287 2.121852 1.109747
H 2.973798 2.949249 1.643528


