%chk=000014215.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014215

0 1
 S    1.253000     -0.4827000      0.3916000    
 O    1.110200       1.849700     -0.7736000    
 N  -0.9349000       1.057700      6.9999998E-04
 C   -1.684600      9.1000004E-03  0.6821000    
 C   -2.200400      -1.056200     -0.2796000    
 C   -3.011300      -2.144200      0.4280000    
 C   -1.736100       2.194900     -0.4549000    
 C   0.4522000      0.9822000     -0.2033000    
 C   -3.562600      -3.158300     -0.5622000    
 C   -1.823300       3.272600      0.6059000    
 C    2.966100     -0.1497000     -7.4000001E-02
 C    3.862400      -1.320000      0.3147000    
 C    5.309200      -1.055000     -7.5400002E-02
 H   -1.094600     -0.4476000       1.481700    
 H   -2.534700      0.4767000       1.195400    
 H   -1.364500      -1.519300     -0.8171000    
 H   -2.827000     -0.5816000      -1.045400    
 H   -3.843900      -1.689400      0.9770000    
 H   -2.380000      -2.659000       1.161400    
 H   -1.258000       2.616200      -1.346300    
 H   -2.733100       1.850500     -0.7495000    
 H   -2.753200      -3.652300      -1.109000    
 H   -4.136600      -3.927700     -3.6400001E-02
 H   -4.225300      -2.677300      -1.288700    
 H   -2.303900       2.898000       1.515300    
 H  -0.8276000       3.635300      0.8822000    
 H   -2.406100       4.122800      0.2384000    
 H    3.303100      0.7637000      0.4278000    
 H    3.018900      1.4700000E-02  -1.155700    
 H    3.816300      -1.494200       1.396700    
 H    3.527800      -2.239500     -0.1810000    
 H    5.693700     -0.1615000      0.4268000    
 H    5.939900      -1.902800      0.2100000    
 H    5.404000     -0.9100000      -1.156400    


%chk=000014215-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014215

0 1
S 1.168431 -0.582603 1.220354
O 1.357350 1.650938 -0.405229
N -0.821008 0.954818 0.068635
C -1.763467 0.026368 0.732425
C -2.142273 -1.191557 -0.142114
C -3.162381 -2.118258 0.557675
C -1.390174 2.050106 -0.760828
C 0.550316 0.860831 0.158790
C -3.542437 -3.338689 -0.307928
C -1.645876 3.335899 0.052394
C 3.020356 -0.293690 0.952962
C 3.557066 -1.004677 -0.300059
C 5.076359 -0.773054 -0.471078
H -1.327014 -0.317347 1.688622
H -2.674507 0.601876 0.988307
H -1.222701 -1.759353 -0.380880
H -2.563021 -0.837295 -1.105225
H -4.077135 -1.541862 0.807585
H -2.738734 -2.466470 1.521601
H -0.678592 2.258743 -1.577591
H -2.329461 1.675421 -1.208927
H -2.650174 -3.947529 -0.544993
H -4.269161 -3.990530 0.210428
H -3.995773 -3.020756 -1.265676
H -2.335155 3.150123 0.896417
H -0.696280 3.726303 0.455802
H -2.095424 4.113728 -0.591981
H 3.500191 -0.655799 1.878932
H 3.144646 0.799386 0.869421
H 3.345094 -2.089153 -0.235289
H 3.016609 -0.618552 -1.183794
H 5.643334 -1.165690 0.394239
H 5.450676 -1.280407 -1.378761
H 5.305420 0.304530 -0.567036


