%chk=000100544.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100544

0 1
 S    2.273300     -0.5118000       1.162500    
 S   -2.130800      0.8958000       1.588500    
 O  -0.3770000     -0.8163000      0.1573000    
 O   -4.667400     -0.7914000      0.7002000    
 O    4.871100      0.1891000      0.2049000    
 O   8.6300001E-02  -2.417900      -1.418200    
 O    4.325700       2.234100     -0.6613000    
 N   -4.354300      0.9135000     -0.8839000    
 N    1.791500      -1.580800     -8.7099999E-02
 N    2.693000      0.9498000      0.3743000    
 N   -1.677900     -0.9667000     -0.3401000    
 C   -3.949100     -3.6100000E-02  5.3300001E-02
 C   -3.401800       1.756100      -1.591500    
 C   -5.760400       1.124000      -1.216100    
 C   -2.486200     -0.1803000      0.2813000    
 C    2.839700      -2.397500     -0.6813000    
 C    1.615400       1.906500      0.1748000    
 C   0.4643000      -1.664700     -0.5210000    
 C    3.992200       1.205400     -7.4800000E-02
 C   -2.369800     -0.1970000       3.005100    
 C    6.222300      0.3865000     -0.2269000    
 H   -3.541500       2.788400      -1.256300    
 H   -2.359400       1.475700      -1.440600    
 H   -3.613800       1.698200      -2.663800    
 H   -5.908600      0.9119000      -2.278600    
 H   -6.401400      0.4647000     -0.6252000    
 H   -6.021200       2.164800      -1.004900    
 H    3.422600      -2.886400      0.1055000    
 H    2.413300      -3.168300      -1.329300    
 H    3.489700      -1.758500      -1.286200    
 H   0.9216000       1.515300     -0.5751000    
 H    2.005800       2.863000     -0.1839000    
 H    1.091200       2.077800       1.119800    
 H   -3.414800     -0.5063000       3.084700    
 H   -1.737400      -1.084200       2.913400    
 H   -2.095000      0.3333000       3.920600    
 H    6.259700      0.4913000      -1.315200    
 H    6.651500       1.265400      0.2632000    
 H    6.802200     -0.4944000      6.1000001E-02


%chk=000100544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100544

0 1
S 2.145424 -0.753045 1.296567
S -2.099742 1.348342 1.967973
O -0.539814 -0.583298 0.235167
O -4.939930 0.080509 1.101049
O 4.770550 -0.077111 0.231388
O -0.204778 -1.906394 -1.726470
O 4.436934 2.234005 -0.003732
N -4.497318 0.823242 -1.076102
N 1.532189 -1.527492 -0.212052
N 2.714327 0.863410 0.782538
N -1.939727 -0.471312 -0.229794
C -4.122204 0.419474 0.189679
C -3.574541 1.245595 -2.145928
C -5.927409 0.773714 -1.433334
C -2.629246 0.360656 0.514639
C 2.474583 -2.285181 -1.073534
C 1.783119 2.020578 0.790942
C 0.224042 -1.395164 -0.675493
C 4.011131 1.093602 0.311984
C -1.397171 0.003929 3.106525
C 6.171761 0.137587 -0.200023
H -4.026523 2.093704 -2.691609
H -2.610507 1.570194 -1.730019
H -3.381975 0.421294 -2.857346
H -6.084743 0.088448 -2.287516
H -6.495119 0.410767 -0.563689
H -6.288734 1.781005 -1.713216
H 3.444261 -2.332581 -0.558297
H 2.085509 -3.301636 -1.253819
H 2.601234 -1.781963 -2.048352
H 1.624572 2.397069 -0.235091
H 2.207515 2.838617 1.397282
H 0.819026 1.699241 1.211622
H -2.185097 -0.738876 3.294609
H -0.507845 -0.450879 2.651295
H -1.140375 0.529761 4.039401
H 6.199970 0.606721 -1.197671
H 6.699212 0.784708 0.520629
H 6.612039 -0.869238 -0.221102


