%chk=000114284.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114284

1 1
 S   0.7868000       2.570100     -0.1545000    
 O   -3.845900      0.1925000      7.9700001E-02
 O    3.888500      -2.559100     -0.5423000    
 N    1.658000      0.2577000      0.2747000    
 C   0.2897000      0.1089000      0.2490000    
 C  -0.3771000       1.305800      1.8800000E-02
 C    2.567800     -0.8436000      0.4965000    
 C    2.087200       1.485500      7.9999998E-02
 C  -0.4189000      -1.087700      0.4279000    
 C   -1.815200      -1.042400      0.3679000    
 C   -1.776700       1.356000     -4.2199999E-02
 C   -2.481900      0.1605000      0.1365000    
 C    2.971400      -1.507100     -0.8101000    
 C    3.493400       1.919800      5.9400000E-02
 C   -2.584200      -2.310000      0.5572000    
 C   -4.442900     -6.8999999E-03  -1.198500    
 H    2.129600      -1.577000       1.183100    
 H    3.463000     -0.5017000       1.030600    
 H   8.4600002E-02  -2.033800      0.5980000    
 H   -2.297200       2.291800     -0.2215000    
 H    3.456200     -0.7980000      -1.486800    
 H    2.104400      -1.924000      -1.332200    
 H    3.948500       1.800100       1.047800    
 H    4.076700       1.342300     -0.6635000    
 H    3.593800       2.974600     -0.2181000    
 H   -1.981600      -3.071900       1.063900    
 H   -3.469900      -2.146800       1.180400    
 H   -2.895400      -2.713000     -0.4115000    
 H    3.439000      -3.199800      3.4699999E-02
 H   -5.528900     -1.5200000E-02  -1.071500    
 H   -4.135800     -0.9628000      -1.633200    
 H   -4.177400      0.8125000      -1.874100    


%chk=000114284-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114284

1 1
S 0.871419 2.740551 -0.136445
O -3.869234 0.417398 -0.047357
O 3.774776 -2.722562 -0.264348
N 1.723745 0.308722 0.319207
C 0.310801 0.156375 0.220908
C -0.342040 1.391949 -0.026959
C 2.621817 -0.854977 0.554711
C 2.182115 1.573490 0.154183
C -0.440668 -1.029021 0.376206
C -1.846337 -0.987688 0.268288
C -1.734798 1.469995 -0.150346
C -2.481932 0.274456 -0.016167
C 2.922644 -1.640287 -0.740320
C 3.614059 1.992301 0.225230
C -2.666516 -2.236121 0.515157
C -4.633660 -0.217218 -1.150947
H 2.145096 -1.524197 1.289028
H 3.568312 -0.506069 0.993950
H 0.048098 -1.980639 0.607371
H -2.267977 2.405979 -0.333752
H 3.441866 -0.991001 -1.477065
H 1.984863 -2.016651 -1.198937
H 4.005639 1.902682 1.256868
H 4.253729 1.376466 -0.432301
H 3.729568 3.043335 -0.081127
H -2.114482 -2.956276 1.141138
H -3.612344 -1.988562 1.026379
H -2.922148 -2.753396 -0.428927
H 4.055666 -3.309607 -1.009416
H -5.681370 0.046060 -0.950737
H -4.517117 -1.314252 -1.157134
H -4.313990 0.206065 -2.120239


