%chk=000129837.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129837

0 1
 S    2.001300      0.9098000     -0.5016000    
 O  -0.3258000       2.591500     -0.2963000    
 O    5.604400       1.363800      0.1838000    
 O    4.796800     -0.1532000       1.664600    
 N   -2.037500       1.015200     -4.4199999E-02
 N    5.031900      -1.830000     -0.7434000    
 C   -3.131300       1.994000      4.9800001E-02
 C   -2.346900     -0.4003000      3.9700001E-02
 C   -3.825900       1.883700       1.400700    
 C   -4.118200       1.804700      -1.095500    
 C  -0.6929000       1.416600     -0.2139000    
 C   0.3160000      0.2830000     -0.3271000    
 C    2.863700     -0.6914000     -0.6020000    
 C   -2.344400     -0.9852000       1.276100    
 C   -2.623700      -1.066600      -1.122400    
 C    4.381300     -0.5193000     -0.6896000    
 C   -2.642100      -2.345500       1.357000    
 C   -2.921600      -2.426900      -1.041400    
 C   -2.930800      -3.066300      0.1983000    
 C    4.945800      0.2223000      0.5075000    
 H   -2.702400       2.999100     -3.2400001E-02
 H   -4.547900       2.699100       1.521000    
 H   -4.381200      0.9469000       1.512800    
 H   -3.105500       1.956500       2.222700    
 H   -3.606600       1.820300      -2.063900    
 H   -4.854500       2.616000      -1.097000    
 H   -4.676700      0.8663000      -1.017700    
 H   0.2830000     -0.3296000      0.5772000    
 H   8.7800004E-02 -0.3205000      -1.209400    
 H    2.598400      -1.273900      0.2882000    
 H    2.494400      -1.228100      -1.483100    
 H   -2.111100     -0.4315000       2.179600    
 H   -2.608900     -0.5764000      -2.090300    
 H    4.638300      2.9899999E-02  -1.603700    
 H   -2.646800      -2.843900       2.321900    
 H   -3.144100      -2.988700      -1.943800    
 H   -3.161500      -4.125700      0.2611000    
 H    4.676600      -2.355400      -1.541400    
 H    6.031000      -1.708900     -0.9064000    
 H    5.943300       1.828600      0.9784000    


%chk=000129837-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129837

0 1
S 1.921051 0.989531 -1.946472
O -0.458713 2.582309 -1.310562
O 4.331752 0.081144 1.837303
O 2.236242 -0.620463 1.143793
N -1.880583 0.976050 -0.378978
N 5.109702 -1.296173 -0.522189
C -2.910707 2.022514 -0.060730
C -2.129395 -0.404511 -0.014890
C -3.116634 2.154235 1.464528
C -4.241275 1.766939 -0.801541
C -0.683760 1.376017 -0.988648
C 0.326450 0.255410 -1.243489
C 3.057069 -0.503436 -1.655281
C -1.654255 -0.917264 1.218186
C -2.846727 -1.252239 -0.895916
C 4.069159 -0.239909 -0.526144
C -1.899522 -2.263877 1.566885
C -3.093861 -2.597805 -0.542856
C -2.621736 -3.106381 0.689620
C 3.403203 -0.285429 0.853150
H -2.458634 2.954514 -0.445685
H -3.822073 2.978691 1.674728
H -3.536214 1.228525 1.899063
H -2.162311 2.381186 1.971807
H -4.080026 1.697091 -1.891928
H -4.935121 2.605983 -0.611432
H -4.729635 0.838492 -0.454086
H 0.589945 -0.267887 -0.310486
H -0.082765 -0.478144 -1.960028
H 2.447978 -1.394125 -1.434776
H 3.599823 -0.671966 -2.601591
H -1.086155 -0.263068 1.888032
H -3.198179 -0.853071 -1.853336
H 4.475144 0.791578 -0.651015
H -1.521643 -2.655093 2.517741
H -3.647925 -3.247215 -1.229689
H -2.810089 -4.150880 0.961422
H 5.531895 -1.457446 -1.441352
H 5.803968 -1.189524 0.223961
H 3.910257 0.015698 2.736778


