%chk=000069529.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000069529

0 1
 S   -2.305000     -0.8863000      -2.663200    
 P   -1.519200     -0.3924000     -0.9550000    
 P   0.9722000     -0.8926000      0.5655000    
 O   3.5000001E-03 -0.9064000     -0.7291000    
 O   -2.251700     -0.9723000      0.3749000    
 O   -1.401800       1.191700     -0.6125000    
 O    2.394600      -1.426700      3.8999999E-03
 O    1.206200      0.6882000      0.8296000    
 O   0.4431000      -1.656100       1.745600    
 C   -3.533100     -0.4891000      0.7396000    
 C  -0.8028000       2.071100      -1.549200    
 C    3.003200     -0.7919000      -1.107700    
 C    2.113700       1.075200       1.847200    
 C   -3.982100      -1.188300       2.004900    
 C  -0.8208000       3.476700     -0.9873000    
 C    4.311500      -1.487700      -1.417600    
 C    2.168500       2.586700       1.910300    
 H   -3.481000      0.5910000      0.9074000    
 H   -4.243100     -0.6867000     -6.8800002E-02
 H   0.2259000       1.750600      -1.740500    
 H   -1.361900       2.048200      -2.488800    
 H    2.334200     -0.8527000      -1.971500    
 H    3.185300      0.2620000     -0.8784000    
 H    1.773100      0.6699000       2.805100    
 H    3.106300      0.6707000       1.627900    
 H   -4.024200      -2.271800       1.852400    
 H   -3.270200      -1.009000       2.817500    
 H   -4.969600     -0.8368000       2.316500    
 H   -1.847800       3.797300     -0.7836000    
 H  -0.2804000       3.518700     -3.6200002E-02
 H  -0.3621000       4.182600      -1.685200    
 H    4.984100      -1.445500     -0.5546000    
 H    4.142200      -2.547000      -1.637900    
 H    4.807400      -1.023700      -2.274700    
 H    2.481600       3.001600      0.9465000    
 H    1.177700       2.999100       2.127700    
 H    2.866600       2.920600       2.682900    


%chk=000069529-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000069529

0 1
S -1.838044 -0.183145 -2.888989
P -1.375866 -0.078952 -0.889547
P 1.285328 -0.519548 0.810689
O 0.213180 -0.657477 -0.548419
O -2.234345 -1.015163 0.259085
O -1.470962 1.470480 -0.127838
O 2.526462 -1.572444 0.282914
O 1.835957 1.101803 0.506194
O 0.783590 -0.812917 2.277887
C -3.729373 -0.922840 0.295694
C -0.952923 2.671574 -0.856907
C 3.009555 -1.533366 -1.139007
C 2.451013 1.842378 1.656100
C -4.174197 -1.922165 1.357696
C -1.370268 3.879726 -0.024574
C 4.081184 -2.613300 -1.235270
C 2.729913 3.254464 1.151787
H -4.010470 0.114027 0.557712
H -4.125290 -1.173121 -0.707253
H 0.145953 2.578013 -0.928434
H -1.393667 2.692340 -1.871932
H 2.149636 -1.730052 -1.802337
H 3.411049 -0.523767 -1.347507
H 1.743667 1.831327 2.505148
H 3.382143 1.325920 1.957740
H -3.861532 -2.944166 1.086223
H -3.732699 -1.669550 2.335982
H -5.275882 -1.901951 1.450452
H -2.468607 3.939777 0.058543
H -0.946206 3.819520 0.992351
H -1.004512 4.806513 -0.504585
H 4.915067 -2.406107 -0.543524
H 3.658159 -3.601325 -0.988539
H 4.479091 -2.649526 -2.266555
H 3.411627 3.235007 0.284573
H 1.793720 3.756882 0.853451
H 3.202651 3.850032 1.954596


