%chk=000068106.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068106

0 1
 S   -3.078000     -0.3876000      8.2500003E-02
 O   0.5729000       3.151000     -7.1000000E-03
 O   -3.517800     -0.5162000      -1.486800    
 O   -3.157500      -1.722800      0.6566000    
 O   -3.818600      0.7178000      0.6700000    
 N    1.685300      -2.875600      1.9300001E-02
 C   0.9578000     -0.5227000      1.4900000E-02
 C    1.305000      0.8491000     -1.8000000E-03
 C   -1.397500      8.6099997E-02  5.0200000E-02
 C  -0.3982000     -0.8875000      4.0700000E-02
 C   0.2861000       1.815800      7.6000001E-03
 C    1.976800      -1.489100      5.2000000E-03
 C   -1.056000       1.435300      3.3399999E-02
 C    2.660800       1.214200     -2.7799999E-02
 C    3.318700      -1.108500     -2.0400001E-02
 C    3.660200      0.2407000     -3.6699999E-02
 H  -0.7024000      -1.929000      4.3900002E-02
 H   -1.822600       2.205800      3.2400001E-02
 H    2.986100       2.250100     -5.7799999E-02
 H    4.109500      -1.854500     -2.9100001E-02
 H    4.705200      0.5359000     -6.0500000E-02
 H   0.7420000      -3.230400      4.7300000E-02
 H    2.450600      -3.538100      1.3500000E-02
 H    1.435800       3.316100      0.4029000    
 H   -3.029600      -1.196100      -2.008300    


%chk=000068106-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068106

0 1
S -3.090953 -0.523184 0.051651
O 0.525705 3.185998 -0.005348
O -3.386176 -0.378030 -1.778630
O -3.162025 -2.087229 0.466043
O -4.038739 0.564691 0.784996
N 1.822722 -2.908738 0.101209
C 1.032429 -0.568221 0.043708
C 1.371644 0.842601 0.014607
C -1.311591 0.029398 0.027545
C -0.340498 -0.962855 0.041992
C 0.292266 1.808566 0.007694
C 2.104803 -1.550641 0.067206
C -1.048327 1.416506 0.010533
C 2.743055 1.245226 0.001986
C 3.445740 -1.106567 0.054807
C 3.753368 0.275910 0.021002
H -0.662062 -2.008340 0.065172
H -1.846360 2.162450 0.019005
H 3.034764 2.302375 -0.027986
H 4.257703 -1.842653 0.071459
H 4.803956 0.585144 0.009565
H 0.873798 -3.267813 0.121510
H 2.581414 -3.584677 0.115138
H 1.491067 3.397007 0.023916
H -4.373103 -0.467126 -1.924681


