%chk=000106619.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106619

0 1
 S    4.501200      -1.195700     -0.8289000    
 O   -4.787900       2.579000     -0.4499000    
 O   -4.845600      -2.553000      0.2178000    
 O   -4.220100       4.802100     -0.1812000    
 O   -4.454800      -4.715900     -0.4937000    
 O    5.318800       3.031500       1.409900    
 O    3.183100       2.586200       1.142300    
 O    8.348900     -0.9603000     -0.6458000    
 O    6.999900      -2.487000      -1.470700    
 N   -3.710100      1.6300000E-02  5.7000001E-03
 N    1.827600     -0.8184000     -2.8200001E-02
 N    2.426300      0.2806000     -8.3999999E-02
 N    4.394700       2.284300       1.002100    
 N    7.185200      -1.384000     -0.8868000    
 C   -4.335100      0.7755000       1.070600    
 C   -4.538200     -0.5351000      -1.048200    
 C   -2.315600     -0.1946000      2.6000000E-03
 C   -4.190900       2.263800      0.8017000    
 C   -4.437700      -2.051000      -1.048600    
 C   -1.615000     -0.2485000       1.207600    
 C   -1.636600     -0.3477000      -1.206500    
 C  -0.2356000     -0.4561000       1.203800    
 C   0.4432000     -0.6095000     -5.2000000E-03
 C  -0.2571000     -0.5550000      -1.210400    
 C   0.4930000     -0.5100000       2.506700    
 C   -4.731000       3.893600     -0.8219000    
 C   -4.805200      -3.912300      0.3600000    
 C    3.784800      0.1850000     -0.1129000    
 C   -5.394800       4.075500      -2.153200    
 C   -5.258500      -4.294500       1.736400    
 C    4.728200       1.067200      0.3662000    
 C    6.056700      0.6035000      0.1423000    
 C    6.078100     -0.6153000     -0.4992000    
 H   -3.973500      0.5244000       2.070500    
 H   -5.406700      0.5383000       1.102100    
 H   -4.277100     -0.1208000      -2.028000    
 H   -5.588100     -0.2612000     -0.8848000    
 H   -4.696600       2.825400       1.595800    
 H   -3.133300       2.552600      0.7852000    
 H   -5.108700      -2.447200      -1.820500    
 H   -3.424800      -2.400900      -1.272700    
 H   -2.110900     -0.1600000       2.167600    
 H   -2.138600     -0.2935000      -2.167200    
 H   0.2632000     -0.6699000      -2.157800    
 H  -0.1942000     -0.5262000       3.359500    
 H    1.138800      0.3671000       2.617600    
 H    1.103100      -1.417300       2.571300    
 H   -6.447100       3.788400      -2.084400    
 H   -5.338300       5.127800      -2.446300    
 H   -4.880400       3.475700      -2.908200    
 H   -6.289400      -3.966600       1.891000    
 H   -5.218600      -5.382300       1.842800    
 H   -4.596000      -3.847100       2.481600    
 H    6.953700       1.135900      0.4365000    


%chk=000106619-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106619

0 1
S 5.037541 0.188161 1.522382
O -5.406507 2.137949 0.462731
O -5.178881 -2.250513 -0.815366
O -5.648753 4.072172 1.736623
O -5.109777 -4.172535 -2.128404
O 6.260822 -0.689003 -3.254551
O 3.988459 -0.590399 -3.038540
O 9.008543 0.045028 1.056631
O 7.654002 0.387007 2.883492
N -3.368589 -0.015093 0.022181
N 2.233970 0.087207 0.683762
N 2.983957 -0.126831 -0.401797
N 5.179979 -0.534903 -2.549307
N 7.847248 0.161836 1.618662
C -4.279936 0.112822 1.181268
C -4.015479 -0.176575 -1.300322
C -1.988844 0.009289 0.166213
C -4.594244 1.561826 1.571234
C -4.183837 -1.635951 -1.739185
C -1.373791 0.259082 1.442916
C -1.119637 -0.216861 -0.964917
C 0.015737 0.283189 1.615100
C 0.861631 0.054605 0.467317
C 0.259557 -0.191562 -0.813075
C 0.621615 0.551509 2.976207
C -5.876632 3.449895 0.678315
C -5.558263 -3.571798 -1.129992
C 4.324722 -0.101502 -0.172498
C -6.635661 3.951693 -0.527809
C -6.521295 -4.114801 -0.099936
C 5.368507 -0.284626 -1.118351
C 6.686559 -0.208996 -0.579099
C 6.677106 0.033093 0.784800
H -3.851263 -0.410084 2.054469
H -5.216440 -0.409903 0.927360
H -3.438202 0.365661 -2.069555
H -5.004222 0.307235 -1.248032
H -5.182985 1.600070 2.506324
H -3.686265 2.176017 1.703131
H -4.568167 -1.695171 -2.774075
H -3.242377 -2.209907 -1.681614
H -1.994552 0.450693 2.321966
H -1.534415 -0.424328 -1.954145
H 0.925417 -0.366666 -1.664296
H -0.160063 0.741641 3.730774
H 1.302223 1.419841 2.942788
H 1.234564 -0.304051 3.310962
H -7.231442 3.146091 -0.985352
H -7.285853 4.788069 -0.232115
H -5.920809 4.317352 -1.287560
H -7.147874 -3.314528 0.322999
H -7.149584 -4.893258 -0.558174
H -5.951110 -4.577607 0.726482
H 7.589991 -0.328782 -1.177023


