%chk=000165278.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165278

0 1
 S    2.218600      -1.583600       1.495800    
 O   -5.108100      0.7131000      0.5036000    
 N   -2.292300       1.108800      0.3770000    
 N   0.9248000      0.1368000     -0.7471000    
 C   -1.070500       1.840200      0.7056000    
 C  -0.3029000       2.266200     -0.5497000    
 C   -3.222500       1.959600     -0.3784000    
 C   -2.944100      0.6079000       1.595000    
 C   0.1011000       1.114700      -1.469800    
 C   -4.494400       1.179500     -0.6987000    
 C   -4.221900     -0.1411000       1.227600    
 C   0.4037000      -1.173500     -0.5993000    
 C    2.206200      0.5586000     -0.3105000    
 C   0.9239000      -2.057100      0.3671000    
 C    2.904900     -0.1533000      0.6847000    
 C  -0.6279000      -1.666000      -1.428400    
 C    2.855400       1.680600     -0.8707000    
 C   0.4086000      -3.358300      0.5043000    
 C    4.178600      0.2651000       1.108900    
 C   -1.133000      -2.961900      -1.290900    
 C    4.123500       2.089000     -0.4490000    
 C  -0.6164000      -3.807800     -0.3214000    
 C    4.784500       1.382600      0.5443000    
 H   -1.298800       2.733900       1.301500    
 H  -0.4184000       1.215700       1.328200    
 H  -0.8679000       3.005700      -1.128500    
 H   0.5783000       2.821100     -0.2093000    
 H   0.6247000       1.487800      -2.357900    
 H  -0.8328000      0.7280000      -1.876700    
 H   -2.803400       2.279800      -1.336100    
 H   -3.479800       2.855200      0.2019000    
 H   -3.189400       1.441400       2.266000    
 H   -2.274900     -7.5099997E-02   2.130800    
 H   -5.213100       1.829800      -1.207700    
 H   -4.291100      0.3281000      -1.359900    
 H   -4.008000      -1.036900      0.6316000    
 H   -4.739200     -0.4640000       2.136600    
 H   -1.046200      -1.099200      -2.253100    
 H    2.407400       2.268200      -1.666600    
 H   0.8023000      -4.037500       1.257900    
 H    4.713800     -0.2775000       1.885800    
 H   -1.920900      -3.309900      -1.952700    
 H    4.591900       2.957600     -0.9029000    
 H   -1.004600      -4.815600     -0.2111000    
 H    5.769300       1.696400      0.8765000    


%chk=000165278-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165278

0 1
S 1.857055 -1.257765 1.894757
O -5.257203 0.733632 0.546219
N -2.435256 1.392187 0.349369
N 0.839883 0.108400 -0.647618
C -1.136809 2.040900 0.657277
C -0.314916 2.342563 -0.616758
C -3.480554 2.346317 -0.098011
C -2.951477 0.544740 1.455417
C -0.012016 1.051449 -1.412103
C -4.737586 1.577829 -0.540674
C -4.209579 -0.205078 0.988528
C 0.462760 -1.267313 -0.552107
C 2.158426 0.510702 -0.273593
C 0.904118 -2.060856 0.544075
C 2.805473 -0.084212 0.845768
C -0.341335 -1.895527 -1.542685
C 2.871955 1.501787 -1.002141
C 0.565651 -3.424264 0.647446
C 4.119924 0.268914 1.206860
C -0.716554 -3.250695 -1.418805
C 4.174843 1.885657 -0.617649
C -0.265516 -4.024584 -0.326519
C 4.809780 1.269540 0.483416
H -1.273537 2.982976 1.243374
H -0.551358 1.347505 1.289428
H -0.868295 3.032492 -1.284352
H 0.617763 2.860449 -0.326056
H 0.427348 1.291378 -2.402795
H -0.983391 0.559005 -1.576986
H -3.100312 2.941196 -0.949736
H -3.754986 3.058875 0.721108
H -3.204057 1.153235 2.359948
H -2.171695 -0.186676 1.738556
H -5.558769 2.268198 -0.796167
H -4.491924 0.945241 -1.421774
H -3.942212 -0.888299 0.153441
H -4.661194 -0.781954 1.812333
H -0.664762 -1.329621 -2.421100
H 2.411346 1.971250 -1.876296
H 0.938641 -4.007418 1.496275
H 4.592816 -0.224658 2.062581
H -1.347446 -3.704814 -2.190811
H 4.696712 2.659802 -1.190958
H -0.546236 -5.078588 -0.234207
H 5.823480 1.559204 0.778024


