%chk=000106518.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106518

0 1
 S    4.131600      0.5226000      0.8185000    
 N   -1.052800      0.4404000      0.8773000    
 C   0.1487000     -0.2272000      0.5701000    
 C    1.375800      0.3924000      0.8131000    
 C   -2.345100      0.3886000      0.3148000    
 C    2.565400     -0.2694000      0.5084000    
 C   0.1147000      -1.510400      2.1600001E-02
 C    2.529400      -1.551800     -3.9400000E-02
 C    1.304100      -2.172100     -0.2829000    
 C   -3.463700      0.6280000       1.113100    
 C   -2.504700      9.7700000E-02  -1.040100    
 C    4.853700      0.5766000     -0.8458000    
 C   -4.741800      0.5760000      0.5567000    
 C   -3.782800      4.5899998E-02  -1.596500    
 C   -4.901300      0.2850000     -0.7980000    
 C    5.768700       1.777700     -0.9909000    
 H  -0.9739000       1.085600       1.658600    
 H    1.397300       1.393500       1.239500    
 H  -0.8240000      -2.027300     -0.1579000    
 H    3.444400      -2.087500     -0.2799000    
 H    1.276400      -3.172900     -0.7041000    
 H   -3.352400      0.8548000       2.170400    
 H   -1.651000     -7.0900001E-02  -1.690700    
 H    5.408900     -0.3494000      -1.024900    
 H    4.058800      0.6462000      -1.595900    
 H   -5.612700      0.7623000       1.178300    
 H   -3.907100     -0.1756000      -2.652500    
 H   -5.896300      0.2459000      -1.231500    
 H    5.225800       2.717300     -0.8426000    
 H    6.599200       1.738600     -0.2779000    
 H    6.198500       1.799500      -1.998000    


%chk=000106518-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106518

0 1
S 3.859825 1.460940 0.156131
N -1.228200 0.626008 0.664815
C -0.018970 0.085810 0.170412
C 1.164388 0.859832 0.314135
C -2.561562 0.310397 0.313999
C 2.416932 0.354756 -0.103964
C 0.070195 -1.213064 -0.408043
C 2.503914 -0.930502 -0.692186
C 1.323168 -1.695344 -0.833153
C -3.596526 0.650449 1.232368
C -2.919368 -0.273020 -0.934368
C 5.289020 0.475774 -0.599927
C -4.947689 0.409001 0.913585
C -4.275150 -0.521423 -1.235415
C -5.300246 -0.188102 -0.319861
C 6.568874 1.317027 -0.487131
H -1.124310 1.354623 1.372891
H 1.099025 1.867640 0.743877
H -0.815534 -1.848458 -0.482845
H 3.458547 -1.343094 -1.028335
H 1.387443 -2.698768 -1.269605
H -3.333466 1.096365 2.200191
H -2.148738 -0.494252 -1.677671
H 5.385479 -0.474117 -0.046848
H 5.040769 0.263573 -1.653932
H -5.726715 0.679798 1.635330
H -4.531367 -0.966206 -2.203995
H -6.349649 -0.383022 -0.563715
H 6.471007 2.272219 -1.032508
H 6.809646 1.543642 0.566593
H 7.421061 0.761619 -0.919926


