%chk=000131918.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131918

0 1
 S   -2.157300      0.4388000      -1.598500    
 N  -0.7921000      0.8764000      0.5268000    
 N   0.5444000      0.9827000      -1.342900    
 C    1.391600       1.252700     -0.1066000    
 C   0.4589000       1.165400       1.151500    
 C  -0.6303000      0.8004000     -0.8211000    
 C   -2.063400      0.6624000      0.9807000    
 C    2.523100      0.2835000     -1.6899999E-02
 C   -2.949600      0.4100000     -2.9000000E-03
 C   -4.402500      0.1343000      0.1306000    
 C   -4.695700      -1.362100      0.2569000    
 C    3.722800      0.6671000      0.5814000    
 C    2.379400      -1.004600     -0.5310000    
 C   -6.183500      -1.630800      0.4218000    
 C    4.780300     -0.2386000      0.6655000    
 C    3.436800      -1.910400     -0.4468000    
 C    4.637300      -1.527200      0.1515000    
 H    1.778900       2.274900     -0.2082000    
 H   0.7536000      0.3803000       1.856000    
 H   0.4304000       2.126800       1.675200    
 H   -2.254700      0.7077000       2.042100    
 H   -4.787200      0.6500000       1.020300    
 H   -4.950000      0.5572000     -0.7207000    
 H   -4.335100      -1.893800     -0.6320000    
 H   -4.161100      -1.779500       1.119000    
 H    3.845600       1.667600      0.9875000    
 H    1.453800      -1.340800     -0.9891000    
 H   -6.746700      -1.258200     -0.4397000    
 H   -6.572100      -1.145600       1.322900    
 H   -6.367300      -2.706200      0.5088000    
 H    5.714700      5.9400000E-02   1.132100    
 H    3.324700      -2.915200     -0.8436000    
 H    5.460200      -2.232900      0.2181000    


%chk=000131918-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131918

0 1
S -2.324963 0.105658 -1.507507
N -0.822945 0.884674 0.524859
N 0.499530 0.577319 -1.372732
C 1.410558 1.058083 -0.261752
C 0.533162 1.079378 1.077694
C -0.696648 0.547672 -0.839329
C -2.099097 0.734271 1.079076
C 2.668768 0.209738 -0.113767
C -3.066123 0.341248 0.189394
C -4.536583 0.121641 0.398494
C -5.015322 -1.329319 0.112862
C 3.803708 0.743291 0.548086
C 2.713248 -1.121685 -0.592414
C -6.534655 -1.491209 0.326874
C 4.959036 -0.045894 0.744531
C 3.869380 -1.911412 -0.399810
C 4.993961 -1.379019 0.272751
H 1.710383 2.096970 -0.505350
H 0.810527 0.251341 1.757838
H 0.624342 2.038466 1.615844
H -2.268305 0.948813 2.134447
H -4.776177 0.382169 1.449289
H -5.125323 0.817532 -0.235490
H -4.753267 -1.601288 -0.928508
H -4.458865 -2.027749 0.766883
H 3.788467 1.781925 0.904313
H 1.847634 -1.512585 -1.136926
H -7.104722 -0.817018 -0.339996
H -6.820427 -1.253553 1.369102
H -6.859437 -2.526219 0.116762
H 5.831040 0.378867 1.254882
H 3.896233 -2.938777 -0.780904
H 5.890787 -1.991630 0.419205


