%chk=000070666.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070666

0 1
 S    1.949100       1.467900      0.7186000    
 O    2.720700       2.409200     -7.6099999E-02
 O    1.650400       1.771000       2.108200    
 O    4.473900      -2.106000      -1.753000    
 O    4.845000      -1.727400      0.4593000    
 N   -4.054700     -0.7860000     -0.3847000    
 N    2.690900     -6.6799998E-02  0.6343000    
 C  -0.6040000      0.3947000      0.4603000    
 C   -1.808000      0.2138000     -0.2612000    
 C   0.4182000       1.181200     -9.5600002E-02
 C   -2.830300     -0.5723000      0.2949000    
 C  -0.4579000     -0.2154000       1.716700    
 C   -1.954300      0.8244000      -1.517500    
 C   0.2556000       1.780400      -1.345000    
 C   -2.668000      -1.171300       1.544500    
 C  -0.9283000       1.602400      -2.054600    
 C   -1.484100     -0.9931000       2.253900    
 C   -5.165400      0.1185000     -0.1850000    
 C   -4.197500      -1.902200      -1.293300    
 C    2.963700     -0.6819000     -0.6725000    
 C    4.185000      -1.541000     -0.5521000    
 H   0.4408000     -0.1602000       2.316800    
 H   -2.859900      0.7115000      -2.108200    
 H    1.030100       2.389600      -1.800800    
 H   -3.458200      -1.781700       1.974700    
 H   -1.053800       2.067900      -3.027900    
 H   -1.356000      -1.467100       3.222900    
 H    2.565300     -0.7158000       1.421100    
 H   -4.965800       1.086600     -0.6556000    
 H   -5.345500      0.2851000      0.8828000    
 H   -6.093400     -0.2769000     -0.6118000    
 H   -4.322100      -2.833900     -0.7317000    
 H   -3.317700      -2.004600      -1.938000    
 H   -5.067100      -1.783900      -1.948400    
 H    3.151600      8.4700003E-02  -1.429200    
 H    2.113800      -1.307800     -0.9588000    
 H    5.270800      -2.676200      -1.706400    


%chk=000070666-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070666

0 1
S 2.066460 1.055756 0.314256
O 2.982855 1.837128 -0.797445
O 2.094628 1.494837 1.881187
O 5.758684 -1.836665 -1.250285
O 5.194084 -1.511406 0.984319
N -4.411635 -0.438340 -0.365716
N 2.562519 -0.775496 0.293569
C -0.768201 0.405287 0.354395
C -2.056015 0.360425 -0.326136
C 0.303300 1.004078 -0.385681
C -3.179516 -0.297245 0.326709
C -0.651089 -0.090660 1.692410
C -2.201486 1.020855 -1.588648
C 0.173235 1.597809 -1.635341
C -3.026138 -0.733071 1.657359
C -1.121808 1.631956 -2.230717
C -1.777338 -0.615049 2.329053
C -5.641681 -0.603396 0.424379
C -4.444469 -1.191075 -1.641562
C 3.524945 -1.084333 -0.784024
C 4.885724 -1.481414 -0.226720
H 0.301736 -0.016449 2.221744
H -3.200478 1.083997 -2.029320
H 1.044648 2.048393 -2.121190
H -3.863701 -1.206834 2.177632
H -1.262131 2.150143 -3.184229
H -1.695632 -0.973417 3.361103
H 2.992465 -0.916972 1.234323
H -5.655688 0.113757 1.261683
H -5.768153 -1.632656 0.834490
H -6.511176 -0.393421 -0.224293
H -4.723572 -2.254507 -1.467747
H -3.457935 -1.179836 -2.127078
H -5.185278 -0.750314 -2.335237
H 3.665469 -0.199879 -1.444089
H 3.143684 -1.909975 -1.411791
H 6.641586 -2.094608 -0.869766


