%chk=000019810.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019810

0 1
 S   0.1255000       2.090500      0.2007000    
 O    1.563200     -0.1933000     -0.1320000    
 N   -3.490400      0.3079000     -0.3077000    
 N    2.784100       1.674200      0.2659000    
 C   -3.410600     -0.7147000      0.7448000    
 C   -4.844600      0.8714000     -0.3994000    
 C   -4.395300      -1.854900      0.4820000    
 C   -5.876200     -0.2171000     -0.6998000    
 C   -5.820700      -1.334400      0.3358000    
 C   -2.510600       1.367000     -6.7299999E-02
 C   -1.102600      0.7858000     -9.7300000E-02
 C    1.608300       1.135400      0.1076000    
 C    2.882300     -0.5465000     -0.1246000    
 C    3.626100      0.5986000      0.1190000    
 C    3.419500      -1.812500     -0.3217000    
 C    5.023800      0.4996000      0.1753000    
 C    4.814900      -1.894200     -0.2623000    
 C    5.603200     -0.7626000     -1.8900000E-02
 H   -3.603200     -0.2791000       1.734000    
 H   -2.431600      -1.198700      0.7795000    
 H   -4.885900       1.611200      -1.208000    
 H   -5.116300       1.388700      0.5303000    
 H   -4.350700      -2.580400       1.302300    
 H   -4.106000      -2.388200     -0.4327000    
 H   -5.690300     -0.6342000      -1.697800    
 H   -6.880900      0.2200000     -0.7183000    
 H   -6.491600      -2.150400      4.5600001E-02
 H   -6.172800     -0.9551000       1.302900    
 H   -2.704100       1.866100      0.8919000    
 H   -2.598100       2.125500     -0.8562000    
 H  -0.9042000      0.3112000      -1.064700    
 H  -0.9360000      5.6600001E-02  0.6975000    
 H    2.800900      -2.681300     -0.5094000    
 H    5.644200       1.369600      0.3632000    
 H    5.297600      -2.857500     -0.4084000    
 H    6.685000     -0.8637000      2.0400001E-02


%chk=000019810-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019810

0 1
S 0.167863 2.025013 0.693334
O 1.637380 -0.190946 -0.109009
N -3.511051 0.246849 0.012456
N 2.920788 1.646578 0.539059
C -3.849950 -0.547776 1.221899
C -4.728804 0.742058 -0.681441
C -4.731364 -1.759879 0.859759
C -5.634285 -0.434248 -1.101225
C -6.009620 -1.301358 0.122030
C -2.501384 1.297092 0.273467
C -1.092159 0.685510 0.170790
C 1.700452 1.168219 0.374373
C 3.007981 -0.542153 -0.241939
C 3.786221 0.582333 0.155760
C 3.551039 -1.754135 -0.678818
C 5.193342 0.506620 0.121330
C 4.966887 -1.816799 -0.708674
C 5.768914 -0.708874 -0.316400
H -4.389665 0.087185 1.973982
H -2.913862 -0.892025 1.698670
H -4.412229 1.314268 -1.573248
H -5.316293 1.438388 -0.026181
H -4.989246 -2.314135 1.782591
H -4.150573 -2.441057 0.208530
H -5.090188 -1.052929 -1.840674
H -6.542576 -0.038779 -1.595170
H -6.610951 -2.175003 -0.192402
H -6.640553 -0.706305 0.814728
H -2.641946 1.781843 1.271480
H -2.607114 2.091224 -0.488500
H -0.865704 0.380043 -0.860529
H -0.961076 -0.173884 0.845294
H 2.927183 -2.600184 -0.978824
H 5.806983 1.359881 0.423034
H 5.451993 -2.740274 -1.041963
H 6.859467 -0.801862 -0.355368


