%chk=000103580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103580

0 1
 S   -5.132900     -0.2508000      0.5470000    
 O    3.901200      0.2271000      0.4001000    
 O    1.056600      -2.468600     -0.2617000    
 O    3.141900     -0.9649000      -1.427300    
 N  -0.3317000       1.327200      0.3236000    
 N   -2.569900      0.4886000      0.4273000    
 N   -3.039200      -1.860000      0.1695000    
 C    1.603200     -0.1742000      0.2451000    
 C   0.9845000       1.120900     -0.2695000    
 C   -1.238500      0.2636000      0.2803000    
 C   0.6647000      -1.332600     -1.8800000E-02
 C  -0.7805000      -1.042100      9.5299996E-02
 C  -0.8483000       2.680800      0.4350000    
 C    2.951000     -0.3647000     -0.3784000    
 C   -1.291600       3.184100     -0.9252000    
 C   -1.716200      -2.063400      4.1600000E-02
 C   -3.391500     -0.5792000      0.3613000    
 C    5.244600      0.1200000     -8.1400000E-02
 C    6.172800      0.8220000      0.8867000    
 C   -5.380100      0.8663000     -0.8505000    
 H    1.725200     -0.1389000       1.336800    
 H    1.643700       1.963500     -2.5300000E-02
 H   0.8961000       1.099100      -1.364400    
 H   -1.671100       2.742000       1.157300    
 H  -6.2899999E-02   3.340800      0.8226000    
 H  -0.4601000       3.200700      -1.637500    
 H   -2.085400       2.564200      -1.353700    
 H   -1.675800       4.205800     -0.8394000    
 H   -1.430900      -3.100500     -0.1010000    
 H    5.521400     -0.9374000     -0.1592000    
 H    5.316800      0.5886000      -1.069300    
 H    7.210800      0.7596000      0.5485000    
 H    5.896800       1.876700      0.9889000    
 H    6.098200      0.3759000       1.884000    
 H   -4.807300       1.787900     -0.7155000    
 H   -6.439800       1.125800     -0.9216000    
 H   -5.076600      0.3854000      -1.784500    


%chk=000103580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000103580

0 1
S -4.964237 -0.914377 0.525403
O 3.971791 0.182148 0.633212
O 1.697249 -1.968820 -0.012934
O 3.461491 0.629482 -1.598223
N -0.573869 1.543992 -0.323319
N -2.574131 0.354473 0.091153
N -2.569227 -2.081365 0.353890
C 1.665638 0.503736 0.086364
C 0.846221 1.519710 -0.739553
C -1.205652 0.353105 -0.062500
C 1.010719 -0.907647 0.009743
C -0.458812 -0.879345 0.035576
C -1.338282 2.799367 -0.512036
C 3.104439 0.456612 -0.409184
C -1.705444 3.066206 -1.988122
C -1.218048 -2.063039 0.228639
C -3.170458 -0.842286 0.298054
C 5.407325 -0.040775 0.259507
C 6.144464 -0.394442 1.545788
C -5.412717 0.905777 0.391746
H 1.665572 0.789953 1.156415
H 1.258215 2.534244 -0.600134
H 0.940898 1.268567 -1.815604
H -2.255628 2.716898 0.092009
H -0.725989 3.628321 -0.109659
H -0.807493 3.147339 -2.626549
H -2.341930 2.254470 -2.380385
H -2.265477 4.015298 -2.070993
H -0.696630 -3.023691 0.296250
H 5.438443 -0.853739 -0.487119
H 5.787607 0.883042 -0.212757
H 7.211290 -0.580310 1.324663
H 6.080147 0.427261 2.279491
H 5.719952 -1.304683 2.001516
H -4.932818 1.469321 1.204277
H -6.509268 0.945654 0.483330
H -5.086148 1.298842 -0.581253


