%chk=000059771.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059771

0 1
 S    3.420500      -1.169700     -0.4739000    
 O   -2.710100       1.005200     -0.1763000    
 O    3.238600      -2.454600      0.2798000    
 O    4.936500     -0.6988000       1.574100    
 N    5.468700      0.7393000     -0.1804000    
 C   0.7479000     -0.4385000     -0.4737000    
 C  -0.3683000      0.5179000     -4.9400002E-02
 C    2.114100     -4.1099999E-02  7.3500000E-02
 C   -1.715700      9.0400003E-02 -0.6158000    
 C    4.754300     -0.2940000      0.4295000    
 C   -3.982300      0.5150000     -3.4400001E-02
 C    5.197800       1.169100      -1.547700    
 C    6.532400       1.457600      0.5075000    
 C   -4.411100     -0.5298000     -0.8449000    
 C   -4.829900       1.068300      0.9182000    
 C   -5.706000      -1.028000     -0.7009000    
 C   -6.124700      0.5698000       1.062200    
 C   -6.562700     -0.4783000      0.2526000    
 H   0.5014000      -1.453800     -0.1375000    
 H   0.7914000     -0.4775000      -1.569800    
 H  -0.1395000       1.538100     -0.3816000    
 H  -0.4295000      0.5642000       1.045100    
 H    2.372000      0.9664000     -0.2693000    
 H    2.096100     -3.6699999E-02   1.168700    
 H   -1.681200      9.6000001E-02  -1.711500    
 H   -1.918300     -0.9291000     -0.2622000    
 H    4.486400      0.5400000      -2.080200    
 H    4.806300       2.190400      -1.514200    
 H    6.138700       1.165400      -2.106900    
 H    6.659400       1.087000       1.527900    
 H    7.467300       1.318700     -4.2599998E-02
 H    6.277400       2.520600      0.5411000    
 H   -3.786200     -0.9663000      -1.617800    
 H   -4.492600       1.884600       1.550500    
 H   -6.049800      -1.839700      -1.335500    
 H   -6.791900      0.9981000       1.804400    
 H   -7.571400     -0.8652000      0.3637000    


%chk=000059771-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059771

0 1
S 3.529546 2.086747 -1.777081
O -2.715941 0.946424 0.089584
O 3.058122 0.905907 -2.878254
O 4.290881 2.119217 0.922649
N 4.927533 0.083688 -0.069840
C 0.977722 1.331965 -0.735593
C -0.482075 1.714217 -0.392188
C 1.865849 2.566132 -0.868891
C -1.368994 0.471886 -0.270548
C 4.345401 1.310450 -0.035678
C -3.723818 -0.014350 0.277256
C 4.958639 -0.817296 -1.244920
C 5.628270 -0.404607 1.145228
C -3.537991 -1.411874 0.127309
C -4.993248 0.502857 0.639948
C -4.632574 -2.282044 0.344702
C -6.072039 -0.377100 0.852570
C -5.899927 -1.776543 0.706996
H 1.389241 0.664340 0.047824
H 1.017060 0.771636 -1.693223
H -0.898058 2.372615 -1.178450
H -0.526694 2.276059 0.559886
H 1.429795 3.336625 -1.527986
H 2.199697 3.007244 0.083435
H -1.408643 -0.082706 -1.231441
H -0.990184 -0.211613 0.518697
H 4.306464 -0.437880 -2.050399
H 5.996289 -0.912900 -1.616441
H 4.603415 -1.818431 -0.938434
H 5.592556 0.370500 1.924617
H 5.139793 -1.324108 1.516592
H 6.681113 -0.634017 0.898879
H -2.566289 -1.827548 -0.155265
H -5.106915 1.586107 0.747462
H -4.486757 -3.362070 0.227560
H -7.050394 0.029386 1.132634
H -6.740844 -2.457915 0.873106


