%chk=000117720.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117720

0 1
 S    2.123900      -2.603300     -0.1851000    
 S   -2.075700       2.581800      3.9400000E-02
 O    1.286400      -2.757100       1.208600    
 O   -1.224500       2.645400      -1.353000    
 O    1.166600      -2.707700      -1.274000    
 O    3.280300      -3.480100     -0.1207000    
 O   -3.196600       3.496600     -0.1014000    
 O   -1.145200       2.706000       1.148100    
 N    6.019700      0.7159000      0.1950000    
 N   -6.035000     -0.6749000     -0.1947000    
 N    6.545900       1.948800      0.5021000    
 N   -6.659500      -1.860000      0.1170000    
 C    1.891100      0.1393000     -0.3155000    
 C   -1.915500     -0.1552000      0.3173000    
 C    2.735800     -0.9608000     -0.1675000    
 C   -2.720300      0.9531000      0.1030000    
 C   0.4532000     -1.4100000E-02 -0.4959000    
 C  -0.4599000     -1.9500000E-02  0.5019000    
 C    4.107000     -0.7694000      1.8000000E-03
 C   -4.093700      0.7800000     -6.8000004E-02
 C    2.417600       1.430800     -0.2939000    
 C   -2.452100      -1.433600      0.3650000    
 C    4.633500      0.5222000      2.3300000E-02
 C   -4.646300     -0.4999000     -2.2399999E-02
 C    3.788800       1.622300     -0.1245000    
 C   -3.825700      -1.606800      0.1941000    
 H   0.1238000     -0.1052000      -1.528700    
 H  -0.1359000      7.3500000E-02   1.536200    
 H    4.785600      -1.609400      0.1226000    
 H   -4.752200       1.627000     -0.2403000    
 H    1.774200       2.299900     -0.4099000    
 H   -1.827300      -2.307100      0.5294000    
 H    4.163500       2.642200     -0.1201000    
 H   -4.219100      -2.619000      0.2284000    
 H    6.595700     -0.1026000      0.3557000    
 H   -6.608100      0.1554000     -0.2933000    
 H   0.3638000      -2.415300       1.197200    
 H   -1.745100       2.486600      -2.175200    
 H    7.517500       1.972500      0.1957000    
 H    6.568400       2.050100       1.516000    
 H   -7.519100      -1.926600     -0.4262000    
 H   -6.946300      -1.829800       1.094500    


%chk=000117720-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000117720

0 1
S 2.462910 -3.005462 -0.077952
S -2.551946 3.024061 0.154746
O 1.880071 -3.184602 1.685268
O -1.965567 3.204333 -1.607468
O 1.196809 -3.337499 -1.034266
O 3.820976 -3.867674 -0.269510
O -3.910282 3.886490 0.343929
O -1.287940 3.354902 1.113697
N 6.121360 0.642964 0.127959
N -6.210135 -0.624738 -0.052840
N 6.630591 1.938121 0.197272
N -6.719190 -1.919836 -0.122839
C 1.886958 -0.169918 0.087236
C -1.975856 0.188913 -0.012491
C 2.896304 -1.170258 0.035505
C -2.985386 1.188990 0.039788
C 0.452809 -0.461063 0.085504
C -0.541760 0.480317 -0.010619
C 4.278058 -0.945466 0.049123
C -4.367103 0.964030 0.026259
C 2.412371 1.162108 0.162499
C -2.501022 -1.143200 -0.088194
C 4.744115 0.394524 0.115721
C -4.832930 -0.376013 -0.040837
C 3.782710 1.444896 0.176861
C -3.871328 -1.426193 -0.102488
H 0.177917 -1.517027 0.163372
H -0.267031 1.536301 -0.088855
H 4.968708 -1.795408 -0.000028
H -5.057830 1.813903 0.075593
H 1.707673 1.996126 0.236155
H -1.796191 -1.977082 -0.162261
H 4.147230 2.473286 0.242092
H -4.235662 -2.454631 -0.168049
H 6.759695 -0.157570 0.091982
H -6.848602 0.175700 -0.016997
H 1.593504 -4.137317 1.803080
H -1.679740 4.157398 -1.724218
H 7.057956 2.305471 -0.654481
H 7.047834 2.216599 1.087027
H -7.135526 -2.198525 -1.012933
H -7.146333 -2.287948 0.728656


