%chk=000099969.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099969

0 1
 S   -2.331600     -0.7630000     -0.1077000    
 O   -2.845800      -1.126800       1.198900    
 O   -3.237400     -0.5979000      -1.228300    
 N   -1.095900      -1.847900     -0.5478000    
 C   4.8400000E-02  -2.070400      0.3550000    
 C    1.182500      -1.142000      7.8699999E-02
 C   0.4549000      -3.552300      0.2578000    
 C   -1.438300      0.7531000      6.0699999E-02
 C    1.998300     -0.7072000       1.123300    
 C    1.427900     -0.7091000      -1.224400    
 C   -1.295600       1.579300      -1.040700    
 C  -0.8979000       1.086000       1.290800    
 C    3.059100      0.1609000      0.8650000    
 C    2.488900      0.1590000      -1.482700    
 C    3.304400      0.5939000     -0.4380000    
 C  -0.5904000       2.775400     -0.9080000    
 C  -0.1927000       2.282200       1.423400    
 C  -3.9000001E-02   3.126800      0.3240000    
 H  -0.2988000      -1.914300       1.384400    
 H  -0.9919000      -2.129700      -1.529800    
 H   0.7970000      -3.805200     -0.7524000    
 H  -0.3940000      -4.203100      0.4943000    
 H    1.267900      -3.782900      0.9547000    
 H    1.819400      -1.037900       2.143000    
 H   0.8251000      -1.040500      -2.064500    
 H   -1.709100       1.319600      -2.010200    
 H   -1.006800      0.4432000       2.158800    
 H    3.693800      0.5000000       1.678400    
 H    2.682000      0.4941000      -2.497500    
 H    4.130400       1.269800     -0.6391000    
 H  -0.4677000       3.431600      -1.764600    
 H   0.2380000       2.555200       2.382300    
 H   0.5117000       4.057100      0.4270000    


%chk=000099969-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099969

0 1
S -1.972602 -0.638808 0.588788
O -1.522654 -0.940507 2.129493
O -3.513201 -0.826717 0.087369
N -0.985777 -1.745769 -0.584317
C 0.174270 -2.424749 0.079280
C 1.356701 -1.466043 0.209039
C 0.525988 -3.653306 -0.799405
C -1.419572 1.110049 0.155003
C 2.063854 -1.370350 1.431713
C 1.785182 -0.693184 -0.899347
C -2.113210 1.768604 -0.872359
C -0.381710 1.685621 0.903338
C 3.191745 -0.524427 1.544795
C 2.909610 0.152699 -0.789003
C 3.619341 0.237371 0.433033
C -1.724164 3.093809 -1.175099
C -0.009089 3.011731 0.584139
C -0.674768 3.709072 -0.451488
H -0.104054 -2.781824 1.093012
H -1.713531 -2.426632 -0.887399
H 0.761403 -3.341606 -1.831754
H -0.308441 -4.379171 -0.826747
H 1.412302 -4.161411 -0.382372
H 1.722303 -1.948258 2.298919
H 1.215023 -0.741670 -1.833937
H -2.936652 1.271099 -1.394459
H 0.108355 1.123602 1.704350
H 3.730466 -0.457272 2.496799
H 3.231143 0.749105 -1.650431
H 4.493494 0.892993 0.518297
H -2.242762 3.642287 -1.968293
H 0.798706 3.493642 1.144226
H -0.380899 4.737022 -0.690383


