%chk=000017345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017345

0 1
 S  -0.9269000       1.127700      0.6692000    
 S   -4.408500      0.6232000      0.7125000    
 P   -2.650300      3.1399999E-02  7.3299997E-02
 O   -2.593300     -9.4300002E-02  -1.556200    
 O   -2.364300      -1.538400      0.4310000    
 O    1.863700       1.883500       1.059400    
 O    3.810400      -1.802000      -1.072300    
 N    2.962600      0.1068000      2.8800000E-02
 C   0.4811000      0.1551000      9.7999997E-02
 C    1.804300      0.8120000      0.4510000    
 C    4.242000      0.7257000      0.3578000    
 C   -2.790400       1.049500      -2.370700    
 C   -2.311800      -1.968000       1.781400    
 C    2.881300      -1.112300     -0.6631000    
 H   0.3932000      6.0699999E-02 -0.9878000    
 H   0.4201000     -0.8254000      0.5778000    
 H    4.313200      0.8392000       1.443900    
 H    4.285500       1.718100     -0.1015000    
 H    5.075100      0.1175000     -2.9000000E-03
 H   -2.381700      0.8436000      -3.363200    
 H   -2.280900       1.921200      -1.953500    
 H   -3.859500       1.254300      -2.465700    
 H   -1.815800      -1.226300       2.412000    
 H   -1.748000      -2.903200       1.826700    
 H   -3.324900      -2.149000       2.148500    
 H    1.861200      -1.464400     -0.8439000    


%chk=000017345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000017345

0 1
S -0.812658 1.413184 0.898478
S -4.438291 0.757792 0.771563
P -2.572816 0.121904 0.170222
O -2.254788 -0.082280 -1.528625
O -2.059697 -1.494252 0.564487
O 2.014023 1.846343 1.235060
O 3.954803 -1.599082 -1.256956
N 3.017032 0.145763 0.012357
C 0.503552 0.324203 0.058510
C 1.873353 0.841171 0.489658
C 4.347041 0.653527 0.432887
C -2.884196 0.878964 -2.462687
C -2.488475 -2.044658 1.871111
C 2.947901 -0.984694 -0.832346
H 0.359794 0.391725 -1.032549
H 0.325509 -0.718160 0.372371
H 4.425144 0.637779 1.531591
H 4.479481 1.691936 0.089552
H 5.109281 0.000333 -0.016524
H -2.665524 0.470450 -3.460198
H -2.439205 1.885299 -2.354868
H -3.975223 0.928643 -2.297463
H -2.004535 -1.505367 2.706188
H -2.152937 -3.091790 1.847197
H -3.586833 -1.994017 1.975002
H 1.915664 -1.288515 -1.093518


