%chk=000160820.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160820

0 1
 S   -6.108300       1.043400     -0.7009000    
 O    2.096200      0.6451000       1.885500    
 O   -7.236400      0.4934000      0.3469000    
 O   -6.046600       2.488700     -0.5378000    
 O   -6.377500      0.4552000      -2.003900    
 N    3.171400     -0.4402000      7.1999997E-02
 N    2.954500      -1.558300     -0.7042000    
 N  -3.2400001E-02 -0.8681000      0.4529000    
 N  -0.9694000      -1.236000       1.199200    
 C    1.248500      -1.401700      0.8808000    
 C    1.873400      -2.121400     -0.2658000    
 C    2.194200     -0.2507000       1.063600    
 C    4.267900      0.3667000     -0.1862000    
 C    1.300300      -3.373900     -0.8333000    
 C    4.496900       1.515000      0.5809000    
 C    5.158300      4.1999999E-02  -1.216300    
 C   -2.186300     -0.6967000      0.7496000    
 C   -4.596700      0.3724000     -0.1418000    
 C    5.600700       2.327300      0.3214000    
 C    6.262200      0.8542000      -1.475600    
 C   -2.958000      -1.402900     -0.1681000    
 C   -2.611300      0.5405000       1.224700    
 C   -4.165900     -0.8672000     -0.6149000    
 C   -3.819300       1.076200      0.7781000    
 C    6.483400       1.996900     -0.7067000    
 H    1.225700      -2.035100       1.773400    
 H    1.190600      -4.115200     -3.7599999E-02
 H    1.956400      -3.774500      -1.610400    
 H   0.3189000      -3.164200      -1.266200    
 H    3.860600       1.837200       1.393500    
 H    5.021800     -0.8394000      -1.837600    
 H    5.774200       3.217300      0.9194000    
 H    6.950100      0.5974000      -2.276000    
 H   -2.630600      -2.370100     -0.5402000    
 H   -2.012600       1.094400       1.942900    
 H   -4.757700      -1.437200      -1.325500    
 H   -4.138100       2.039700       1.165600    
 H    7.343000       2.629300     -0.9087000    
 H   -7.116900      0.7767000       1.283900    


%chk=000160820-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160820

0 1
S -6.634558 0.723208 -0.235241
O 1.997986 0.286015 1.904443
O -6.582301 2.006545 1.105695
O -6.742046 1.469354 -1.666158
O -7.699293 -0.420555 0.182694
N 3.305441 -0.395852 0.015358
N 3.183848 -1.342131 -1.059811
N -0.058045 -0.936243 -0.065664
N -1.011446 -1.386428 0.694679
C 1.254045 -1.515522 0.302506
C 2.033253 -1.969961 -0.924807
C 2.195087 -0.410716 0.880600
C 4.488885 0.406777 0.080495
C 1.563298 -3.003169 -1.898121
C 4.651387 1.372867 1.108418
C 5.498888 0.225550 -0.899733
C -2.309414 -0.822036 0.411927
C -4.884284 0.109333 0.041610
C 5.828725 2.150253 1.141542
C 6.666584 1.013235 -0.847745
C -3.378717 -1.409003 1.134521
C -2.541969 0.245994 -0.499102
C -4.696927 -0.942474 0.951325
C -3.850725 0.724686 -0.688727
C 6.841070 1.979553 0.170143
H 1.135658 -2.320544 1.057533
H 1.370575 -3.968729 -1.393766
H 2.314513 -3.157557 -2.688681
H 0.611599 -2.686410 -2.365037
H 3.873019 1.508604 1.862046
H 5.356149 -0.520547 -1.684148
H 5.950155 2.894643 1.936137
H 7.442382 0.869836 -1.607945
H -3.156061 -2.221093 1.832939
H -1.694625 0.684446 -1.033751
H -5.545605 -1.383089 1.482644
H -4.071893 1.538433 -1.386319
H 7.750591 2.588564 0.205312
H -7.470029 2.470364 1.118790


