%chk=000090124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090124

0 1
 S   -2.532500       1.755000      0.4205000    
 P    2.127900      0.1879000      0.1887000    
 P   -3.996500      0.4566000     -0.3369000    
 O    1.408000      -1.053600     -0.5786000    
 O    3.652700      0.1113000     -0.3744000    
 O    2.088300      1.9500000E-02   1.686500    
 O   -3.749000      -1.062800      0.1860000    
 O   -5.430800      0.8373000      0.3280000    
 O   -4.030900      0.5267000      -1.841700    
 N    1.431400       1.565700     -0.4151000    
 C    1.468500      -2.344400      4.3000001E-03
 C    4.579700       1.143200     -8.1000000E-02
 C   0.1879000       2.040300      0.1709000    
 C  -0.9717000       1.173200     -0.3034000    
 C    2.844500      -2.942900     -0.2458000    
 C   0.3603000      -3.208700     -0.5774000    
 C    5.129100      0.9383000       1.322500    
 C    5.683200       1.137600      -1.128000    
 C   -3.685000      -1.333700       1.575500    
 C   -6.565200      5.3500000E-02 -6.0000003E-04
 H    1.295600      -2.268100       1.083200    
 H    4.071800       2.112600     -0.1283000    
 H    1.387000       1.649700      -1.430000    
 H   3.6800001E-02   3.080600     -0.1398000    
 H   0.2670000       2.040400       1.263900    
 H  -0.8407000      0.1313000      2.2000000E-03
 H   -1.062200       1.200600      -1.394300    
 H    3.099800      -2.910700      -1.310500    
 H    2.892300      -3.981600      9.6100003E-02
 H    3.619000      -2.382300      0.2864000    
 H   0.4657000      -3.300100      -1.664000    
 H   0.3625000      -4.211000     -0.1385000    
 H  -0.6170000      -2.748600     -0.3943000    
 H    4.350200       1.076000       2.077300    
 H    5.930900       1.650800       1.540900    
 H    5.518700     -7.8000002E-02   1.446700    
 H    5.259200       1.274600      -2.128600    
 H    6.411900       1.933100     -0.9450000    
 H    6.207500      0.1757000      -1.137600    
 H   -3.831400      -2.405800       1.728300    
 H   -4.460800     -0.7897000       2.119600    
 H   -2.700000      -1.054300       1.957600    
 H   -7.446500      0.5025000      0.4640000    
 H   -6.445000     -0.9646000      0.3771000    
 H   -6.705800      3.3900000E-02  -1.084500    


%chk=000090124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090124

0 1
S -2.844956 0.554819 1.966603
P 2.014433 -0.576312 0.339934
P -4.081365 0.942508 0.082385
O 2.065534 -2.212417 -0.185230
O 3.379729 0.025920 -0.560969
O 2.032989 -0.249649 1.901509
O -4.789631 -0.578897 -0.358060
O -5.383157 1.832791 0.806939
O -3.366779 1.608041 -1.172961
N 0.575932 -0.025351 -0.412562
C 3.307051 -3.041896 0.041715
C 3.817675 1.449443 -0.327434
C -0.490948 0.670742 0.330794
C -1.406868 -0.330846 1.067474
C 4.066581 -3.139331 -1.286605
C 2.809771 -4.388188 0.577018
C 4.704512 1.522752 0.924107
C 4.532344 1.851920 -1.620682
C -5.602020 -1.311599 0.641107
C -5.910790 3.017498 0.084680
H 3.930490 -2.532638 0.803806
H 2.906583 2.068219 -0.187095
H 0.388957 -0.306762 -1.376000
H -1.074364 1.269672 -0.390410
H -0.040366 1.356023 1.069223
H -0.859418 -0.844704 1.876248
H -1.835196 -1.081475 0.382656
H 3.431669 -3.614609 -2.055319
H 4.978862 -3.752156 -1.160049
H 4.357094 -2.134140 -1.633800
H 2.127520 -4.858427 -0.152870
H 3.664375 -5.068961 0.746453
H 2.268533 -4.254954 1.528724
H 4.148870 1.180419 1.813577
H 5.036794 2.564479 1.091576
H 5.599674 0.888624 0.793760
H 3.853795 1.768448 -2.486293
H 4.889931 2.895564 -1.548605
H 5.403506 1.195575 -1.793095
H -5.889591 -2.243427 0.132248
H -6.496442 -0.726799 0.916849
H -5.003663 -1.534234 1.543830
H -6.631049 3.462813 0.786588
H -6.418197 2.716255 -0.848598
H -5.102006 3.732247 -0.145266


