%chk=000158862.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158862

0 1
 S  -7.8400001E-02   1.341600     -0.1032000    
 O  -0.5771000       1.977100       1.106100    
 O  -0.2498000       2.029000      -1.373200    
 O  -0.7341000      -2.504600     -0.2584000    
 N  -0.8886000     -0.1757000     -0.2418000    
 N    1.209200      -1.320600      1.5900001E-02
 N    1.511500       1.053300      0.1007000    
 C   -2.359400     -0.1991000     -0.4428000    
 C  -0.1691000      -1.415900     -0.1667000    
 C    1.960900     -0.1593000      0.1311000    
 C   -3.058800     -0.2334000      0.9011000    
 C    3.433900     -0.3924000      0.3312000    
 H   -2.668700      0.6901000      -1.003100    
 H   -2.647300      -1.061700      -1.053000    
 H    1.702900      -2.207700      6.8499997E-02
 H   -2.751800      -1.106900       1.485500    
 H   -2.839400      0.6591000       1.494300    
 H   -4.143200     -0.2833000      0.7609000    
 H    3.718900      -1.425800      0.1184000    
 H    3.689700     -0.1606000       1.369500    
 H    4.000800      0.2764000     -0.3231000    


%chk=000158862-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158862

0 1
S -0.107972 1.486895 0.011698
O -0.369347 1.984311 1.523732
O -0.662402 2.365095 -1.214021
O -0.709787 -2.534229 0.302005
N -0.880479 -0.261277 -0.218206
N 1.219035 -1.236614 0.380652
N 1.719835 1.091023 -0.203666
C -2.329221 -0.285058 -0.533951
C -0.194825 -1.388837 0.174136
C 2.052153 -0.162816 0.090164
C -3.222473 -0.233868 0.720624
C 3.540392 -0.452941 0.106985
H -2.520857 0.574680 -1.202087
H -2.514073 -1.208902 -1.110527
H 1.658760 -2.120191 0.654488
H -3.034413 -1.108484 1.365751
H -3.038323 0.685102 1.303551
H -4.285433 -0.246662 0.419560
H 3.791640 -1.251041 -0.614116
H 3.854119 -0.774729 1.117306
H 4.095771 0.458145 -0.156178


