%chk=000154014.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154014

0 1
 S    3.346200      5.8699999E-02 -0.3876000    
 O    1.398000       3.363100     -6.7199998E-02
 O    3.485200       2.920200     -0.5836000    
 N  -0.2566000       1.171800      0.4871000    
 N    2.328000       2.531800     -0.2617000    
 C   0.9031000      0.5199000      0.2220000    
 C    1.039200     -0.9082000      0.2668000    
 C    2.342700      -1.302400     -5.0600000E-02
 C    2.072200       1.158400     -0.1177000    
 C   -1.655600      0.8421000      0.3344000    
 C   9.0800002E-02  -1.914700      0.5702000    
 C    2.716900      -2.660400     -7.2400004E-02
 C   -2.029600     -5.1000002E-03 -0.6856000    
 C   -3.380100     -0.3220000     -0.8331000    
 C   -2.564300       1.388400       1.214200    
 C   0.4589000      -3.262700      0.5500000    
 C    1.758500      -3.629200      0.2313000    
 C   -4.322500      0.2163000      4.3200001E-02
 C   -3.914700       1.071500       1.066800    
 C   -3.816500      -1.237400      -1.926400    
 H  -0.1830000       2.141300      0.7963000    
 H  -0.9186000      -1.685200      0.8923000    
 H    3.732400      -2.956600     -0.3194000    
 H   -1.310200     -0.3980000      -1.398200    
 H   -2.252600       2.053800       2.013800    
 H  -0.2736000      -4.025100      0.7999000    
 H    2.036300      -4.679800      0.2214000    
 H   -5.377700     -2.1500001E-02 -6.1799999E-02
 H   -4.648400       1.490700       1.749000    
 H   -3.062800      -2.009400      -2.115600    
 H   -4.746000      -1.754700      -1.665300    
 H   -3.979700     -0.6705000      -2.848400    


%chk=000154014-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000154014

0 1
S 3.512374 0.054399 -0.389940
O 1.314623 3.353571 0.178302
O 3.493302 2.992339 -0.492215
N -0.265263 1.234906 0.436028
N 2.325021 2.548101 -0.139579
C 0.875868 0.507534 0.184979
C 1.051543 -0.949295 0.216374
C 2.394615 -1.342922 -0.086847
C 2.108903 1.159090 -0.078482
C -1.634509 0.845432 0.321082
C 0.115705 -1.959838 0.577926
C 2.794951 -2.694429 -0.087911
C -2.082884 -0.029147 -0.701363
C -3.455973 -0.346833 -0.834029
C -2.570985 1.438972 1.205431
C 0.513310 -3.307969 0.590167
C 1.841996 -3.678086 0.245225
C -4.382106 0.238816 0.068871
C -3.940823 1.132408 1.070910
C -3.928260 -1.259693 -1.952778
H -0.051991 2.252560 0.529903
H -0.906663 -1.690733 0.852487
H 3.825498 -2.974594 -0.327829
H -1.360773 -0.444898 -1.413101
H -2.221325 2.117139 1.991268
H -0.208799 -4.080822 0.872493
H 2.134015 -4.733585 0.252076
H -5.448553 0.002225 -0.021919
H -4.664981 1.584691 1.757130
H -3.181943 -2.039922 -2.184379
H -4.877993 -1.758712 -1.692819
H -4.102000 -0.685606 -2.883362


