%chk=000103958.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103958

0 1
 S   -3.145800      -1.393700      0.1110000    
 O   0.6219000     -0.4500000     -0.7116000    
 O   -3.558900      -2.543200      0.8943000    
 O   -4.094900     -0.3505000     -0.2237000    
 N   -1.727900     -0.7304000      0.8271000    
 C   -1.274500      0.5454000      0.3686000    
 C  -0.1093000      0.6547000     -0.3905000    
 C   -2.009100       1.687700      0.6870000    
 C   0.3211000       1.906200     -0.8311000    
 C   -1.578400       2.939200      0.2464000    
 C  -0.4133000       3.048500     -0.5126000    
 C    1.934300     -0.4997000     -0.2758000    
 C   -2.466600      -2.021800      -1.408400    
 C    2.226900     -0.1370000       1.027000    
 C    2.921400     -0.9106000      -1.154000    
 C    3.550000     -0.1865000       1.466000    
 C    4.244500     -0.9601000     -0.7149000    
 C    4.558700     -0.5980000      0.5951000    
 H  -0.9674000      -1.403600      0.9929000    
 H   -2.911500       1.621900       1.289200    
 H    1.220400       2.009000      -1.432700    
 H   -2.148800       3.828900      0.4965000    
 H  -7.9200000E-02   4.022700     -0.8570000    
 H   -3.264300      -2.544200      -1.941300    
 H   -2.106000      -1.189400      -2.014700    
 H   -1.660300      -2.720100      -1.176400    
 H    1.458300      0.1684000       1.730400    
 H    2.678300      -1.192400      -2.174100    
 H    3.794400      9.1200002E-02   2.487200    
 H    5.029900      -1.280700      -1.392900    
 H    5.588700     -0.6376000      0.9371000    


%chk=000103958-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103958

0 1
S -3.204043 -1.659536 -0.034066
O 0.649118 -0.494131 -0.073597
O -3.224293 -3.183557 0.520919
O -4.525526 -0.721553 -0.039960
N -1.866189 -0.738484 1.048672
C -1.439872 0.514932 0.541790
C -0.119334 0.692757 0.022062
C -2.319337 1.631349 0.569044
C 0.323285 1.952139 -0.428833
C -1.886927 2.886777 0.097097
C -0.567459 3.048969 -0.393165
C 2.067674 -0.467466 0.066358
C -2.516222 -1.669971 -1.834639
C 2.717469 0.359932 1.009770
C 2.785821 -1.389261 -0.723285
C 4.119981 0.261046 1.148168
C 4.187060 -1.479475 -0.569117
C 4.859450 -0.653667 0.361928
H -1.096801 -1.431528 1.120402
H -3.326984 1.486573 0.968978
H 1.338579 2.069536 -0.820122
H -2.571741 3.740318 0.121580
H -0.229651 4.026760 -0.752268
H -3.303809 -2.135884 -2.442921
H -2.342927 -0.619765 -2.106170
H -1.592480 -2.263442 -1.807006
H 2.142329 1.054770 1.629606
H 2.246772 -2.019610 -1.436876
H 4.631685 0.895178 1.880228
H 4.751172 -2.193970 -1.178083
H 5.945799 -0.725433 0.477605


