%chk=000226808.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226808

0 1
 S   0.4026000       1.710900     -0.6560000    
 O    1.374900      -2.026400     -0.1263000    
 N  -0.6360000      -1.051700      0.2178000    
 C   -1.654200     -9.3999999E-03  1.0700000E-02
 C    1.425300      0.3721000      3.7400000E-02
 C   -1.120400       1.403900      0.2692000    
 C   0.7188000     -0.9843000     -1.1300000E-02
 C   -2.811900     -0.2722000      0.9912000    
 C   -2.201300     -0.1423000      -1.424700    
 C    2.710400      0.3196000     -0.8039000    
 C    1.791800      0.6797000       1.495800    
 H   -1.858900       2.156200     -3.0600000E-02
 H  -0.9246000       1.571100       1.333200    
 H   -1.003600      -1.996500      0.2843000    
 H   -3.247700      -1.266200      0.8364000    
 H   -2.464500     -0.2314000       2.030200    
 H   -3.611200      0.4676000      0.8721000    
 H   -2.660300      -1.126400      -1.578300    
 H   -2.963900      0.6167000      -1.631700    
 H   -1.412100     -4.5200001E-02  -2.177900    
 H    3.405900     -0.4355000     -0.4173000    
 H    2.500000      4.8599999E-02  -1.845900    
 H    3.245100       1.277100     -0.7975000    
 H    2.495000     -6.9399998E-02   1.880900    
 H    2.272800       1.659200       1.598600    
 H   0.9241000      0.6493000       2.163000    


%chk=000226808-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226808

0 1
S 0.389396 1.796783 -0.622634
O 1.410659 -2.035833 0.318827
N -0.655156 -1.040173 0.176418
C -1.722960 -0.014980 -0.029602
C 1.475121 0.382447 0.097261
C -1.174251 1.381340 0.331452
C 0.727897 -0.969722 0.179831
C -2.887942 -0.361067 0.935764
C -2.217634 -0.068513 -1.498957
C 2.674139 0.246513 -0.867534
C 1.955224 0.762725 1.521310
H -1.908620 2.158470 0.063351
H -0.961380 1.452342 1.412455
H -0.989175 -2.008318 0.253856
H -3.303426 -1.360605 0.705954
H -2.545275 -0.360126 1.985783
H -3.706205 0.373135 0.829718
H -2.553309 -1.089659 -1.755755
H -3.068414 0.621723 -1.648981
H -1.403812 0.219123 -2.185769
H 3.335446 -0.560841 -0.511497
H 2.340838 -0.004107 -1.889180
H 3.243058 1.193095 -0.903759
H 2.572491 -0.057279 1.931894
H 2.559966 1.684542 1.478284
H 1.109423 0.934085 2.210911


