%chk=000089024.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000089024

0 1
 S    2.731000     -0.3172000      0.1166000    
 O    3.554800      0.7338000      0.6968000    
 O    2.748300      -1.652800      0.6976000    
 O   -2.067000      -2.365100      2.3000000E-02
 O   -3.532000     -0.7313000     -3.7799999E-02
 N   -2.349300      -1.144300     -1.4000000E-03
 N   -2.874600       1.667800     -5.8100000E-02
 C    1.082900      0.2569000      6.7000002E-02
 C   2.6200000E-02 -0.6538000      5.4299999E-02
 C   -1.290100     -0.1940000      1.3300000E-02
 C   0.8230000       1.627100      3.8699999E-02
 C   -1.549800       1.176200     -1.4900000E-02
 C  -0.4933000       2.086800     -2.2000000E-03
 C    3.190000     -0.4901000      -1.593000    
 H   0.2483000      -1.717700      6.8599999E-02
 H    1.630100       2.354200      4.0300000E-02
 H  -0.6811000       3.157300     -2.5800001E-02
 H    3.112700      0.4830000      -2.081500    
 H    4.222000     -0.8455000      -1.632600    
 H    2.527400      -1.216700      -2.067200    
 H   -3.029300       2.667700     -7.6099999E-02
 H   -3.674000       1.052800     -6.4300001E-02


%chk=000089024-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000089024

0 1
S 2.801185 -0.308720 0.118197
O 3.676334 0.953919 0.686656
O 2.784804 -1.776872 0.837122
O -2.073226 -2.432935 -0.049278
O -3.656514 -0.795885 -0.027503
N -2.404658 -1.187705 -0.026439
N -2.931313 1.730360 -0.007717
C 1.014616 0.295117 0.015723
C -0.013224 -0.640688 0.012749
C -1.351680 -0.173571 -0.005242
C 0.780159 1.691039 0.039271
C -1.652291 1.240329 0.002179
C -0.537731 2.148660 0.030785
C 3.340449 -0.585120 -1.700187
H 0.180458 -1.717633 0.052160
H 1.627940 2.382486 0.096990
H -0.742905 3.224566 0.054766
H 3.241127 0.379521 -2.216319
H 4.386875 -0.914208 -1.633239
H 2.686332 -1.364480 -2.114154
H -3.097325 2.734474 0.006307
H -3.703211 1.052448 -0.011525


