%chk=000109999.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109999

1 1
 S  -2.3399999E-02 -0.7948000       1.188800    
 O   -2.853000       1.043500       2.166300    
 O   -3.099600     -0.3126000      -1.074600    
 N   0.9848000       1.290100     -0.2578000    
 C    2.081400      0.2913000      1.5000000E-02
 C   0.7815000       1.403700      -1.760100    
 C  -0.2191000      0.7368000      0.3747000    
 C    1.351700       2.616300      0.3883000    
 C    1.686600     -0.8263000      0.7523000    
 C    3.401000      0.4277000     -0.4138000    
 C   0.4202000      4.4500001E-02  -2.318200    
 C   -1.404200       1.363200      0.3357000    
 C    2.596900      -1.824300       1.074200    
 C    4.319300     -0.5733000     -9.2799999E-02
 C    3.919600      -1.692700      0.6471000    
 C    5.737400     -0.4504000     -0.5409000    
 C   -2.603500      0.7625000      0.9938000    
 C   -3.467500     -0.1189000      0.1970000    
 C   -4.589300     -0.7760000      0.5432000    
 C   -4.979700      -1.462000     -0.6315000    
 C   -4.041400      -1.147900      -1.586900    
 H  -1.0100000E-02   2.137700      -1.950200    
 H    1.705200       1.788100      -2.207800    
 H    1.490400       2.468500       1.465100    
 H    2.274000       2.990100     -6.7500003E-02
 H   0.5513000       3.339000      0.2006000    
 H    3.713800       1.293400     -0.9893000    
 H   0.2775000      0.1462000      -3.401100    
 H    1.205200     -0.7069000      -2.194400    
 H  -0.5197000     -0.3595000      -1.935300    
 H   -1.559600       2.315000     -0.1591000    
 H    2.297400      -2.696800       1.646700    
 H    4.635100      -2.472800      0.8951000    
 H    6.044300      0.5995000     -0.5968000    
 H    6.418000     -0.9458000      0.1599000    
 H    5.859300     -0.9049000      -1.529000    
 H   -5.085900     -0.7825000       1.502800    
 H   -5.837400      -2.105300     -0.7652000    
 H   -3.908300      -1.422100      -2.623300    


%chk=000109999-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109999

1 1
S -0.255474 -1.039607 0.645964
O -3.346922 1.988797 1.506291
O -2.986941 -0.814130 -0.801202
N 0.999934 1.269657 -0.290450
C 2.050545 0.206478 -0.064838
C 0.941772 1.664141 -1.807312
C -0.364956 0.702892 0.139501
C 1.340653 2.505071 0.560215
C 1.553505 -1.005825 0.431549
C 3.418544 0.402728 -0.320576
C 0.561810 0.491088 -2.709061
C -1.464996 1.492982 0.143014
C 2.435501 -2.072092 0.691639
C 4.326403 -0.657287 -0.065655
C 3.810808 -1.883943 0.440908
C 5.811545 -0.492688 -0.318306
C -2.830561 1.160090 0.693196
C -3.527090 -0.046915 0.270121
C -4.732143 -0.622939 0.681606
C -4.954177 -1.780389 -0.137249
C -3.882846 -1.862939 -1.021800
H 0.207972 2.484622 -1.873619
H 1.943364 2.060562 -2.046348
H 1.341629 2.207559 1.618418
H 2.334584 2.870587 0.264541
H 0.587287 3.285826 0.386848
H 3.801200 1.352462 -0.711067
H 0.558758 0.848235 -3.753678
H 1.288816 -0.335233 -2.641981
H -0.447013 0.107771 -2.482436
H -1.380049 2.553909 -0.124151
H 2.068142 -3.025790 1.081163
H 4.503612 -2.707932 0.643723
H 6.055037 0.497439 -0.737537
H 6.387977 -0.611565 0.617325
H 6.182653 -1.257757 -1.024025
H -5.367550 -0.240271 1.477876
H -5.798122 -2.464847 -0.088003
H -3.623011 -2.549449 -1.823602


