%chk=000006542.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006542

0 1
 S   0.7087000      -1.670000       1.328900    
 P    1.892100      3.0200001E-02  0.9750000    
 O    1.173400      0.9559000     -0.1523000    
 O    3.293400     -0.3832000      0.2619000    
 O    2.124300      0.7789000       2.262000    
 N   -2.915200     -0.3423000      0.1050000    
 C   -1.544400     -0.8373000      1.9200001E-02
 C   -2.926400       1.088300      0.4126000    
 C   -3.633400     -0.6001000      -1.143800    
 C  -0.9857000      -1.058400       1.419300    
 C   -4.346600       1.605100      0.5683000    
 C   -3.633200      -2.081300      -1.481400    
 C    1.828100       2.136200     -0.5852000    
 C    3.283300      -1.095600     -0.9631000    
 C   0.9707000       2.821400      -1.627800    
 C    4.711000      -1.347700      -1.398800    
 H  -0.9290000     -0.1609000     -0.5824000    
 H   -1.479100      -1.813000     -0.4691000    
 H   -2.407700       1.675100     -0.3566000    
 H   -2.414100       1.280200       1.361000    
 H   -3.216300     -3.0500000E-02  -1.983800    
 H   -4.687000     -0.3200000      -1.043500    
 H   -1.587400      -1.799600       1.956700    
 H  -0.9719000     -0.1447000       2.018900    
 H   -4.863300       1.708300     -0.3908000    
 H   -4.942000      0.9644000       1.227700    
 H   -4.324500       2.604100       1.018500    
 H   -2.706200      -2.407300      -1.962700    
 H   -3.826200      -2.706000     -0.6023000    
 H   -4.433600      -2.287500      -2.202000    
 H    1.977400       2.798400      0.2732000    
 H    2.804900       1.886500      -1.009300    
 H    2.767500      -2.050500     -0.8286000    
 H    2.754500     -0.5160000      -1.725200    
 H    1.444600       3.741500      -1.980800    
 H  -1.4400000E-02   3.065600      -1.216600    
 H   0.8025000       2.159000      -2.483400    
 H    4.740200      -1.900100      -2.342200    
 H    5.251500      -1.919600     -0.6373000    
 H    5.247200     -0.4015000      -1.526500    


%chk=000006542-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000006542

0 1
S 0.434586 -1.432215 -1.402191
P 1.358507 0.496547 -0.599402
O 1.936492 1.159457 -2.098381
O 2.806870 0.085267 0.274074
O 0.426234 1.425059 0.295974
N -3.292803 -0.391901 0.209153
C -2.221742 -0.495274 -0.806338
C -3.133376 0.787070 1.106458
C -4.667518 -0.584353 -0.313831
C -1.092943 -1.377127 -0.240759
C -3.710959 0.553722 2.515314
C -4.961178 -2.045913 -0.704037
C 2.429064 2.575122 -2.094740
C 3.744794 -0.920875 -0.303856
C 2.816023 2.883272 -3.537429
C 4.862328 -1.093493 0.721001
H -1.809347 0.500347 -1.080263
H -2.614491 -0.951431 -1.733008
H -3.600525 1.697071 0.653264
H -2.052453 1.004929 1.188235
H -4.873426 0.087009 -1.185740
H -5.371827 -0.285779 0.483934
H -1.403985 -2.429884 -0.139346
H -0.755948 -1.006403 0.740313
H -4.797671 0.351551 2.490652
H -3.215348 -0.310011 2.992165
H -3.550388 1.446991 3.147427
H -4.290682 -2.398278 -1.509593
H -4.821737 -2.706761 0.169354
H -6.001045 -2.149344 -1.066689
H 1.617499 3.232990 -1.732631
H 3.294214 2.657027 -1.408438
H 3.193075 -1.865766 -0.474712
H 4.127852 -0.546846 -1.272752
H 3.184935 3.923104 -3.613139
H 1.944983 2.770286 -4.204437
H 3.612084 2.202587 -3.883973
H 5.594169 -1.837425 0.354911
H 4.455086 -1.445220 1.683725
H 5.388298 -0.139109 0.892432


