%chk=000141042.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141042

0 1
 S  -0.3450000      -1.804800      -1.054900    
 O   -2.624000      -2.159900      0.1060000    
 N   -1.697400     -6.5700002E-02  0.5256000    
 N   -1.352400       2.926800      -1.018900    
 C  -0.6696000      0.9520000      0.2682000    
 C   0.7282000      0.4007000      0.2170000    
 C   0.9816000     -0.8439000     -0.3693000    
 C    1.800900       1.152300      0.7210000    
 C   -1.718000      -1.344100     -4.4799998E-02
 C   -1.035000       1.676300     -0.9921000    
 C   -2.818400      0.3532000       1.361500    
 C    2.293400      -1.328200     -0.4426000    
 C    3.104800      0.6628000      0.6523000    
 C    3.350700     -0.5776000      7.0900001E-02
 H  -0.7200000       1.666600       1.100900    
 H    1.625900       2.127300       1.169300    
 H   -1.034700       1.107900      -1.937700    
 H   -2.434500      0.6599000       2.338900    
 H   -3.541800     -0.4531000       1.506000    
 H   -3.321700       1.197700      0.8820000    
 H    2.508000      -2.291800     -0.8990000    
 H    3.927500       1.251000       1.047900    
 H    4.365800     -0.9591000      1.3000000E-02
 H   -1.564700       3.204300      -1.983600    


%chk=000141042-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000141042

0 1
S -0.331891 -1.844179 -1.115696
O -2.786155 -2.093896 0.026527
N -1.704270 -0.085885 0.574186
N -1.389077 2.881707 -1.062354
C -0.675643 0.942726 0.242846
C 0.745731 0.401782 0.214650
C 1.025903 -0.842678 -0.396627
C 1.813376 1.154726 0.759293
C -1.810390 -1.311277 -0.051132
C -1.037580 1.626805 -1.080823
C -2.821452 0.368517 1.435771
C 2.349043 -1.335300 -0.465241
C 3.140790 0.680379 0.682029
C 3.406858 -0.565411 0.066355
H -0.752115 1.722755 1.019154
H 1.600217 2.120046 1.233368
H -0.979879 0.980332 -1.979901
H -2.442895 0.609331 2.445185
H -3.563051 -0.440936 1.503713
H -3.299375 1.266307 1.003307
H 2.547775 -2.311257 -0.920146
H 3.960136 1.273343 1.101210
H 4.433023 -0.943995 0.009366
H -1.619478 3.256659 -2.007441


