%chk=000090128.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090128

0 1
 S   -1.715600       2.601900      0.5393000    
 P   -2.475600      0.7281000       1.099500    
 P    3.149600      0.6217000     -0.7743000    
 O   -4.057300      0.6144000      0.7412000    
 O   -1.808600     -0.4134000      0.1528000    
 O    4.633900      0.7090000     -0.1131000    
 O    2.673100     -0.8806000     -0.3686000    
 O   -2.218700      0.4749000       2.562700    
 O    3.192000      0.7969000      -2.271300    
 N    2.209400       1.697600      6.5899998E-02
 C   0.7864000       1.766200     -0.2263000    
 C   6.4000003E-02   2.508900      0.8908000    
 C   -4.500400      0.8204000     -0.5890000    
 C   -1.866400      -1.766500      0.5712000    
 C   -5.874100      0.1885000     -0.7530000    
 C   -1.651800      -2.664500     -0.6375000    
 C    5.664300     -0.1124000     -0.6359000    
 C    2.741300      -1.316800      0.9787000    
 C   -6.408600      0.3573000      -2.163900    
 C   -1.715700      -4.135300     -0.2670000    
 C    6.940500      0.1458000      0.1363000    
 C    2.238400      -2.742100       1.061600    
 H   0.3971000      0.7482000     -0.3176000    
 H   0.6409000       2.267000      -1.190300    
 H   0.2097000       2.013500       1.856400    
 H   0.4431000       3.532800      0.9784000    
 H    2.577000       2.644300      0.1569000    
 H   -4.549400       1.897200     -0.7794000    
 H   -3.791500      0.3742000      -1.294000    
 H   -1.090600      -1.931900       1.325400    
 H   -2.843000      -1.967900       1.024800    
 H   -6.572300      0.6331000     -3.3700000E-02
 H   -5.820100     -0.8775000     -0.5013000    
 H   -2.407500      -2.440100      -1.399900    
 H  -0.6833000      -2.436400      -1.098400    
 H    5.812700      0.1267000      -1.693500    
 H    5.377700      -1.164800     -0.5519000    
 H    2.119200     -0.6670000       1.601800    
 H    3.772600      -1.265000       1.338300    
 H   -7.396600     -0.1051000      -2.253300    
 H   -5.744700     -0.1164000      -2.894100    
 H   -6.504600       1.416600      -2.422900    
 H   -1.554600      -4.757000      -1.153200    
 H   -2.693000      -4.391200      0.1544000    
 H  -0.9469000      -4.388400      0.4699000    
 H    7.227700       1.200100      6.5800004E-02
 H    6.798300     -7.5000003E-02   1.199400    
 H    7.759700     -0.4697000     -0.2456000    
 H    1.214700      -2.813200      0.6835000    
 H    2.852300      -3.403000      0.4406000    
 H    2.260800      -3.105700       2.092600    


%chk=000090128-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000090128

0 1
S -1.781725 2.490233 0.522893
P -2.242109 0.281114 0.995547
P 2.681314 -0.240880 -0.534641
O -3.965498 0.191397 0.937639
O -1.688451 -0.482823 -0.463701
O 4.373448 0.067568 -0.293955
O 2.115556 -1.122710 0.850949
O -1.641259 -0.304549 2.345658
O 2.262945 -1.050320 -1.837320
N 2.165526 1.393243 -0.363069
C 0.762637 1.792443 -0.580917
C 0.106614 2.299981 0.720770
C -4.682399 0.588159 -0.312798
C -1.184922 -1.905447 -0.396055
C -6.150329 0.215610 -0.098364
C -0.896971 -2.324992 -1.837324
C 5.349164 -0.933600 -0.818862
C 2.461826 -0.651687 2.227862
C -7.009507 0.608867 -1.321687
C -0.311554 -3.755846 -1.877284
C 6.729772 -0.301689 -0.671646
C 1.508946 -1.360467 3.186893
H 0.194802 0.921738 -0.956092
H 0.703115 2.569265 -1.366242
H 0.285865 1.607360 1.559910
H 0.457247 3.305141 1.010289
H 2.895049 2.106825 -0.325831
H -4.562980 1.679012 -0.465809
H -4.240706 0.051528 -1.173770
H -0.268476 -1.922528 0.220679
H -1.962045 -2.539583 0.073170
H -6.519281 0.725612 0.810257
H -6.220640 -0.871643 0.088536
H -1.828037 -2.264985 -2.431998
H -0.160729 -1.626006 -2.271847
H 5.102803 -1.156727 -1.873739
H 5.260252 -1.864878 -0.227329
H 2.348502 0.449827 2.275375
H 3.520178 -0.908415 2.422795
H -8.065727 0.331278 -1.158550
H -6.664495 0.097016 -2.239454
H -6.972833 1.698685 -1.506631
H -0.126597 -4.064625 -2.921261
H -0.995904 -4.495371 -1.419135
H 0.654050 -3.790271 -1.341988
H 6.798555 0.627073 -1.262969
H 6.940510 -0.062040 0.384560
H 7.503798 -1.004341 -1.031888
H 0.460067 -1.084803 2.982113
H 1.615009 -2.455527 3.097475
H 1.751123 -1.073824 4.227987


