%chk=000098096.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000098096

0 1
 S    2.087300     -0.9271000      -1.116300    
 O  -0.8343000      -1.379400       1.458900    
 O  -0.9505000       1.907500     -0.7745000    
 O   -2.525600       1.224900      0.7064000    
 N   -2.699400      -1.169800     -0.6707000    
 C  -0.3650000      -1.178600      0.1235000    
 C   -1.429700     -0.4363000     -0.7065000    
 C   0.9882000     -0.4931000      9.7599998E-02
 C    1.443500      0.4537000      0.9523000    
 C   -1.716700      0.9594000     -0.1741000    
 C    2.765600      0.8554000      0.6048000    
 C    3.236700      0.1832000     -0.5014000    
 H  -0.2482000      -2.189700     -0.2894000    
 H   -1.121200     -0.3465000      -1.754700    
 H   0.8856000      0.8575000       1.787000    
 H   -2.984200      -1.313300      0.2982000    
 H   -2.561000      -2.102800      -1.058300    
 H   -1.051600     -0.5133000       1.842600    
 H    3.341600       1.600000       1.138700    
 H    4.200800      0.2912000     -0.9780000    
 H   -1.131600       2.803300     -0.4181000    


%chk=000098096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000098096

0 1
S 1.804611 -0.001191 -1.322748
O -0.907891 -0.978550 1.677698
O -2.013883 1.578342 -1.662730
O -1.692566 1.506006 0.632576
N -2.574136 -1.369271 -0.634978
C -0.336342 -1.088419 0.327959
C -1.350185 -0.563727 -0.731149
C 1.023584 -0.423206 0.261830
C 1.861362 -0.104056 1.318050
C -1.658007 0.925088 -0.484721
C 3.119064 0.480613 0.914256
C 3.256600 0.607167 -0.456933
H -0.252329 -2.177854 0.160323
H -0.920723 -0.667120 -1.742890
H 1.575867 -0.293169 2.354778
H -2.897510 -1.503806 0.328495
H -3.307127 -1.154943 -1.314394
H -1.104482 -0.007703 1.823138
H 3.892715 0.793801 1.619568
H 4.085950 1.008520 -1.036502
H -2.274272 2.519678 -1.463628


