%chk=000106148.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106148

0 1
 S   -6.883800     -0.6743000      0.2033000    
 O   -2.832100       2.469200     -0.3970000    
 O   -7.443100      -2.203600      0.1255000    
 O   -7.324300      4.4500001E-02 -0.9745000    
 O   -7.104800     -0.1650000       1.541300    
 O    7.981300      0.8194000     -0.1534000    
 O    7.908500      -1.370700     -2.1199999E-02
 N   -4.351000      0.1172000     -0.1205000    
 N    1.221200     -8.3999999E-02 -0.6412000    
 N    1.760100     -3.5200000E-02  0.4895000    
 N    7.339800     -0.2521000     -3.0900000E-02
 C   -2.945700      7.7500001E-02 -0.2521000    
 C   -5.148400      -1.064600      2.2100000E-02
 C   -2.211800       1.255700     -0.3885000    
 C   -2.291800      -1.154600     -0.2448000    
 C  -0.8239000       1.201900     -0.5176000    
 C  -0.1769000     -2.9899999E-02 -0.5097000    
 C  -0.9039000      -1.208400     -0.3738000    
 C    3.151500     -8.9299999E-02  0.3591000    
 C    3.885500       1.088900      0.2227000    
 C    3.805200      -1.321500      0.3666000    
 C    5.927200     -0.1972000      0.1015000    
 C    5.273400       1.035000      9.3999997E-02
 C    5.193200      -1.375300      0.2378000    
 C   -3.005600       3.116500      0.8616000    
 H   -4.869600      -1.636400      0.9136000    
 H   -5.068300      -1.694200     -0.8707000    
 H   -4.798000       1.026500     -0.1516000    
 H   -2.822200      -2.096500     -0.1426000    
 H  -0.2529000       2.121000     -0.6254000    
 H  -0.4020000      -2.172300     -0.3685000    
 H    3.384900       2.053700      0.2168000    
 H    3.241600      -2.244800      0.4733000    
 H    5.812600       1.973100     -1.0200000E-02
 H    5.668500      -2.352900      0.2480000    
 H   -3.592100       2.492600       1.543400    
 H   -3.545200       4.052600      0.6937000    
 H   -2.033700       3.348500       1.308600    
 H   -7.405600      -2.624800     -0.7654000    


%chk=000106148-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000106148

0 1
S -7.487914 2.122697 -0.316588
O -3.693358 1.166800 0.374442
O -6.402315 0.058470 -0.973165
O -6.478092 2.912653 0.681980
O -7.368704 2.647007 -1.850446
O 8.312857 -0.315222 0.042710
O 7.740056 1.880948 0.284489
N -4.449833 -1.388201 0.053984
N 1.041698 0.027095 0.188070
N 1.945308 -0.913909 0.066284
N 7.440766 0.630925 0.155776
C -3.057094 -1.114424 0.122405
C -4.988099 -2.489672 0.498471
C -2.659741 0.258525 0.252906
C -2.060690 -2.122612 -0.001262
C -1.285871 0.583813 0.271827
C -0.309074 -0.438930 0.157233
C -0.696830 -1.802380 0.015111
C 3.295428 -0.436653 0.101105
C 4.291194 -1.443919 -0.017284
C 3.673765 0.931629 0.238090
C 6.004661 0.259094 0.136494
C 5.654839 -1.102589 -0.000099
C 5.031485 1.281598 0.255964
C -3.371301 2.601686 0.517539
H -4.426815 -3.267373 1.043578
H -6.062767 -2.640511 0.340123
H -5.549709 -0.360687 -0.536633
H -2.375948 -3.161328 -0.152187
H -0.939015 1.615300 0.373873
H 0.076888 -2.566805 -0.091333
H 3.967020 -2.483647 -0.121856
H 2.889734 1.688591 0.326671
H 6.442454 -1.854704 -0.089268
H 5.359851 2.319132 0.359311
H -2.778197 2.771880 1.435422
H -4.356766 3.084526 0.593737
H -2.819694 2.966937 -0.369082
H -6.232374 0.340459 -1.905594


