%chk=000119114.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000119114

0 1
 S   8.9800000E-02  -2.967200       1.134100    
 O   -2.104800     -0.1152000     -8.8799998E-02
 O   5.7000000E-02   1.300800      0.9061000    
 N   -4.671300       1.111100     -0.1380000    
 C   -2.281200       1.210900      0.4242000    
 C   -3.444500       1.895300     -0.2987000    
 C  -0.9792000       1.969900      0.2088000    
 C   -4.465200     -0.2539000     -0.6241000    
 C   -3.286200     -0.8972000      9.5100001E-02
 C    1.321500       1.392900      0.3804000    
 C    2.235200      0.3613000      0.5608000    
 C    1.869700     -0.8675000       1.326300    
 C    1.670200       2.533400     -0.3337000    
 C    3.515900      0.4715000      1.9300001E-02
 C    1.277600      -1.962200      0.4618000    
 C    2.950900       2.643500     -0.8752000    
 C    3.873800       1.612700     -0.6987000    
 C    1.588500      -2.250300     -0.8256000    
 C   0.8189000      -3.352000      -1.299100    
 C  -3.6600001E-02  -3.837800     -0.3350000    
 H   -2.476200       1.135100       1.502400    
 H   -3.603900       2.898500      0.1110000    
 H   -3.225100       2.004200      -1.368300    
 H   -1.070400       2.994400      0.5873000    
 H  -0.7807000       1.989200     -0.8713000    
 H   -4.280300     -0.2317000      -1.704900    
 H   -5.371400     -0.8434000     -0.4524000    
 H   -3.481500      -1.017700       1.167600    
 H   -3.094400      -1.891700     -0.3200000    
 H   -5.425800       1.549200     -0.6653000    
 H    2.763400      -1.271100       1.822700    
 H    1.188500     -0.6027000       2.145800    
 H   0.9950000       3.372600     -0.4687000    
 H    4.246200     -0.3230000      0.1487000    
 H    3.232500       3.534800      -1.428300    
 H    4.871500       1.699300      -1.119000    
 H    2.321700      -1.731800      -1.428600    
 H   0.8900000      -3.767700      -2.295900    
 H  -0.7302000      -4.662200     -0.4231000    


%chk=000119114-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000119114

0 1
S 1.140843 -3.691142 1.466473
O -2.805682 0.125425 -0.935756
O -0.078830 0.858428 0.282222
N -4.868237 1.505055 0.469062
C -2.470333 1.126911 0.099305
C -3.589043 2.188608 0.180124
C -1.122160 1.720453 -0.292854
C -5.221131 0.490402 -0.550331
C -4.082452 -0.541305 -0.619418
C 1.261965 1.173644 0.008967
C 2.228243 0.305762 0.597198
C 1.794746 -0.884966 1.439525
C 1.665158 2.279227 -0.781076
C 3.595121 0.579226 0.369105
C 1.710893 -2.173716 0.643630
C 3.040831 2.524039 -0.993586
C 4.012704 1.676951 -0.419768
C 2.002177 -2.430912 -0.686323
C 1.790142 -3.804399 -1.086157
C 1.334113 -4.615682 -0.062975
H -2.386300 0.623390 1.085759
H -3.366536 2.894615 1.001900
H -3.604114 2.762275 -0.781768
H -1.010325 2.750278 0.107275
H -1.038547 1.741735 -1.397040
H -5.362981 0.929162 -1.568656
H -6.161239 -0.010687 -0.253898
H -3.998216 -1.071500 0.352272
H -4.240248 -1.269627 -1.431677
H -5.633463 2.158025 0.672855
H 2.510672 -1.018258 2.275070
H 0.807290 -0.674065 1.889468
H 0.925153 2.946981 -1.231016
H 4.342251 -0.086238 0.818479
H 3.346418 3.379500 -1.606508
H 5.079026 1.866871 -0.579960
H 2.356677 -1.651934 -1.365167
H 1.970473 -4.170939 -2.099959
H 1.093841 -5.677296 -0.075093


