%chk=000066680.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066680

0 1
 S    4.776600     -0.1533000     -3.2499999E-02
 O    5.255500       1.318200      0.4949000    
 O    5.206400      -1.122300      0.9652000    
 O    5.184200     -0.2894000      -1.422200    
 N   -1.166700      2.4200000E-02  1.9900000E-02
 C   -1.885800      0.8473000      0.9678000    
 C   -1.935300     -0.7607000     -0.9454000    
 C   0.2329000     -1.8700000E-02  8.0000004E-03
 C   -1.961500       2.260800      0.4975000    
 C   -2.060300      -2.186700     -0.4852000    
 C   0.9383000     -0.4460000       1.139200    
 C   0.9420000      0.3668000      -1.135900    
 C    3.031500     -0.1007000     -1.6600000E-02
 C    2.332500     -0.4867000       1.127100    
 C    2.336200      0.3259000      -1.148100    
 C  -0.9619000       3.167600      0.8499000    
 C   -1.098100      -3.115100     -0.8610000    
 C   -3.032200       2.676000     -0.2943000    
 C   -3.136600      -2.558600      0.3101000    
 C   -1.032900       4.489600      0.4102000    
 C   -1.214200      -4.438100     -0.4343000    
 C   -3.103000       3.997800     -0.7341000    
 C   -3.252700      -3.881400      0.7370000    
 C   -2.103400       4.904600     -0.3819000    
 C   -2.291500      -4.821100      0.3649000    
 H   -1.424900      0.8080000       1.963400    
 H   -2.901400      0.4619000       1.127900    
 H   -1.481900     -0.7259000      -1.944300    
 H   -2.937400     -0.3347000      -1.084100    
 H   0.4106000     -0.7586000       2.036900    
 H   0.4189000      0.7153000      -2.023000    
 H    2.853000     -0.8179000       2.021100    
 H    2.858900      0.6409000      -2.046700    
 H  -0.1229000       2.858700       1.467700    
 H  -0.2557000      -2.829700      -1.484800    
 H   -3.819400       1.981500     -0.5751000    
 H   -3.892400      -1.836300      0.6054000    
 H  -0.2547000       5.195700      0.6847000    
 H  -0.4660000      -5.169900     -0.7243000    
 H   -3.936800       4.321100      -1.350500    
 H   -4.091500      -4.179800       1.358900    
 H   -2.158600       5.933800     -0.7243000    
 H   -2.381900      -5.851100      0.6971000    
 H    4.975200       1.550600       1.411400    


%chk=000066680-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066680

0 1
S 5.312713 -0.126894 0.299955
O 5.637788 1.301457 -0.861850
O 5.830936 0.310427 1.771823
O 5.874490 -1.475412 -0.401316
N -0.739249 0.009419 0.054154
C -1.562616 0.548174 1.151230
C -1.494705 -0.504321 -1.102213
C 0.655693 -0.018395 0.108487
C -2.072752 1.978214 0.941336
C -2.065898 -1.916515 -0.931129
C 1.373712 0.769829 1.069191
C 1.413184 -0.842047 -0.790337
C 3.471175 -0.076663 0.218316
C 2.775154 0.741544 1.126655
C 2.815089 -0.863619 -0.745632
C -1.389040 2.896164 0.106626
C -1.482659 -2.851953 -0.041506
C -3.242289 2.405312 1.619542
C -3.190872 -2.308980 -1.699790
C -1.862877 4.219982 -0.040997
C -2.010742 -4.158507 0.071966
C -3.714103 3.729031 1.477424
C -3.716624 -3.615429 -1.591572
C -3.024032 4.642092 0.645965
C -3.126683 -4.545986 -0.704329
H -0.986920 0.484866 2.093340
H -2.429586 -0.128540 1.284621
H -0.848454 -0.461425 -1.998612
H -2.326567 0.200159 -1.299704
H 0.838162 1.438013 1.748854
H 0.904620 -1.494563 -1.504944
H 3.319861 1.343164 1.860970
H 3.390198 -1.505224 -1.420668
H -0.491462 2.573649 -0.433018
H -0.620853 -2.556893 0.567745
H -3.787436 1.699406 2.259454
H -3.659734 -1.589601 -2.383714
H -1.324913 4.920195 -0.689812
H -1.549794 -4.872289 0.763857
H -4.619827 4.045516 2.006760
H -4.587086 -3.904785 -2.190983
H -3.390289 5.668245 0.531504
H -3.535181 -5.558700 -0.616290
H 6.631567 1.415483 -0.913760


