%chk=000122437.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122437

0 1
 S   -9.047600     -0.6393000     -7.4999998E-03
 O    5.289700      -1.133500      5.7300001E-02
 O   -2.368400      -1.770900     -3.1000001E-03
 O   -9.608400      9.0800002E-02  -1.358700    
 O   -9.234800      -2.071300     -0.1903000    
 O   -9.618400      4.2199999E-02   1.143900    
 N    6.344100      0.9110000      0.1115000    
 N   -3.218400      0.4540000      4.8700001E-02
 N   -2.685900       1.740900      8.3499998E-02
 C    7.309900     -8.4100001E-02  9.4899997E-02
 C    6.669800       2.314800      0.1493000    
 C    5.112400      0.2714000      8.9400001E-02
 C    6.659900      -1.326400      6.1500002E-02
 C    8.688000     -2.8800000E-02  0.1054000    
 C    7.327300      -2.529900      3.7900001E-02
 C    6.821700       2.853700      -1.260200    
 C    3.877700      0.7860000      9.4800003E-02
 C  -0.9874000      0.2083000      5.3700000E-02
 C   -4.580700      0.1986000      3.5900000E-02
 C   -1.387400       1.615100      8.5199997E-02
 C   -2.246600     -0.5616000      2.7899999E-02
 C    9.394600      -1.237700      8.1699997E-02
 C    8.721100      -2.474900      4.8400000E-02
 C    2.680100     -2.2100000E-02  6.8700001E-02
 C   0.2473000     -0.3064000      4.8300002E-02
 C   -5.079200     -0.9445000     -0.5993000    
 C   -5.471300       1.081100      0.6576000    
 C   -7.331800     -0.3174000      9.3000000E-03
 C    1.444900      0.5017000      7.4500002E-02
 C   -6.450100      -1.201500     -0.6127000    
 C   -6.842300      0.8241000      0.6445000    
 C  -0.4302000       2.756700      0.1180000    
 H    5.876900       2.872900      0.6613000    
 H    7.582700       2.502300      0.7265000    
 H    9.226700      0.9118000      0.1277000    
 H    6.801500      -3.476400      1.2300000E-02
 H    7.631200       2.347800      -1.796600    
 H    5.901500       2.717400      -1.838400    
 H    7.050100       3.923800      -1.234500    
 H    3.750900       1.865300      0.1174000    
 H    10.48160      -1.223300      8.8399999E-02
 H    9.297300      -3.396300      3.0500000E-02
 H   0.3746000      -1.385900      2.3100000E-02
 H    2.797400      -1.102800      4.3400001E-02
 H   -4.438100      -1.637000      -1.135600    
 H   -5.113600       1.974700       1.163200    
 H    1.437300       1.570100      0.1003000    
 H   -6.810900      -2.087500      -1.127700    
 H   -7.509900       1.530300       1.129900    
 H   0.1655000       2.803100     -0.7965000    
 H   0.1548000       2.759400       1.040500    
 H   -1.015700       3.684500      0.1367000    
 H   -9.236700     -0.2474000      -2.207300    


%chk=000122437-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122437

0 1
S -9.139144 -0.903429 -0.094782
O 5.358870 -1.136312 -0.050727
O -2.106090 -1.588792 -0.105949
O -9.352365 -0.786943 -1.946317
O -9.369607 -2.448543 0.334295
O -10.027196 0.270257 0.581875
N 6.579322 0.777034 0.169527
N -3.263529 0.520927 0.086079
N -2.905017 1.898055 0.223889
C 7.503943 -0.283497 0.023084
C 6.921431 2.205771 0.284399
C 5.279172 0.268444 0.105769
C 6.741600 -1.469953 -0.103128
C 8.908962 -0.328739 -0.002970
C 7.306209 -2.735137 -0.253496
C 6.969209 2.920701 -1.082476
C 4.062311 0.934441 0.173480
C -0.969975 0.618911 0.120244
C -4.631262 0.175256 0.037405
C -1.562752 1.945234 0.243370
C -2.110720 -0.326019 0.016570
C 9.505751 -1.607006 -0.154636
C 8.726241 -2.784482 -0.277048
C 2.805260 0.266196 0.108528
C 0.345052 0.155780 0.085763
C -5.028770 -1.187872 -0.088992
C -5.610466 1.205989 0.124301
C -7.334911 -0.470161 -0.051777
C 1.558719 0.897177 0.165065
C -6.396529 -1.512464 -0.138568
C -6.977289 0.883637 0.075546
C -0.877731 3.275386 0.382506
H 6.181745 2.684315 0.950815
H 7.898879 2.272564 0.793911
H 9.522974 0.572231 0.085494
H 6.690184 -3.632540 -0.347685
H 7.725752 2.463802 -1.743647
H 5.991506 2.869960 -1.591985
H 7.230562 3.984479 -0.942058
H 4.086377 2.024429 0.275835
H 10.597483 -1.683185 -0.179741
H 9.224027 -3.751837 -0.394029
H 0.434882 -0.938318 -0.019861
H 2.823687 -0.828059 0.003012
H -4.265946 -1.966737 -0.149272
H -5.279435 2.240921 0.226053
H 1.521358 1.988276 0.270854
H -6.725355 -2.552437 -0.226164
H -7.745722 1.658989 0.150458
H -0.225136 3.484444 -0.485884
H -0.250611 3.311141 1.293109
H -1.634941 4.073421 0.449628
H -10.306270 -1.018807 -2.145071


