%chk=000153978.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153978

0 1
 S   -5.205100     -0.1289000     -0.4476000    
 P   -3.035800       1.520900      0.6093000    
 O   -1.735000       1.313600       1.550000    
 O   -4.132400       2.074300       1.660900    
 O   -5.406900      -1.737500     -0.6124000    
 O   -2.803500       2.407600     -0.5778000    
 O   -5.124500      0.4464000      -1.775800    
 O   -6.159200      0.3592000      0.5263000    
 O    4.377100     -0.5413000     -0.3224000    
 C   -3.555900     -0.1542000      0.2637000    
 C   -2.583300     -0.9907000     -0.5793000    
 C   -1.189600      -1.180300      3.0500000E-02
 C  -0.2548000      -1.999300     -0.8700000    
 C    1.127000      -2.192600     -0.2973000    
 C    2.117500      -1.264800     -0.5812000    
 C    1.383400      -3.295200      0.5032000    
 C    3.395200      -1.443800     -5.1500000E-02
 C    2.661200      -3.474400       1.032800    
 C    3.667100      -2.548600      0.7555000    
 C    4.059300      0.8033000     -0.2287000    
 C    3.335500       1.250100      0.8620000    
 C    4.473100       1.664600      -1.228600    
 C    3.014500       2.604300      0.9559000    
 C    4.152200       3.018800      -1.134800    
 C    3.422800       3.488500     -4.2399999E-02
 H   -3.682700     -0.6564000       1.231500    
 H   -3.003400      -1.984800     -0.7687000    
 H   -2.471000     -0.5124000      -1.560400    
 H   -1.277500      -1.653600       1.015600    
 H  -0.7117000     -0.2084000      0.1751000    
 H  -0.7037000      -2.982100      -1.066000    
 H  -0.1743000      -1.517300      -1.853400    
 H    1.892100     -0.4217000      -1.229100    
 H   0.6060000      -4.020300      0.7267000    
 H   -1.235700       2.103100       1.849200    
 H   -4.058800       2.998600       1.980700    
 H   -5.518200      -2.239700      0.2290000    
 H    2.872900      -4.334100       1.661700    
 H    4.660600      -2.693200       1.171300    
 H    3.025900      0.5862000       1.663700    
 H    5.040300       1.300100      -2.079700    
 H    2.450800       2.971100       1.808700    
 H    4.470200       3.707400      -1.912100    
 H    3.173900       4.543100      3.1199999E-02


%chk=000153978-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000153978

0 1
S -5.150636 -0.029885 0.078462
P -2.556026 1.520816 1.021828
O -3.173058 1.644694 2.614400
O -3.566333 2.621888 0.146280
O -5.376037 -1.862709 0.437657
O -0.998409 1.765162 0.786041
O -5.240182 0.206047 -1.515319
O -6.098258 0.801024 1.080482
O 4.274163 -0.406052 -0.118194
C -3.246186 -0.185768 0.635466
C -2.490595 -0.970901 -0.433533
C -1.107484 -1.438796 0.095769
C -0.318308 -2.237540 -0.981522
C 1.125235 -2.438791 -0.541666
C 2.009679 -1.331738 -0.586205
C 1.587383 -3.673455 -0.024243
C 3.322131 -1.453361 -0.082852
C 2.916845 -3.792885 0.447275
C 3.789324 -2.685375 0.430351
C 3.884566 0.961090 -0.137413
C 2.752822 1.460757 0.549338
C 4.761779 1.831071 -0.822067
C 2.488253 2.848092 0.518377
C 4.494388 3.217417 -0.829773
C 3.354411 3.731667 -0.166941
H -3.366698 -0.722915 1.591219
H -3.096814 -1.853710 -0.708780
H -2.357627 -0.361676 -1.347089
H -1.239849 -2.070031 0.996211
H -0.508605 -0.560625 0.395034
H -0.812718 -3.209948 -1.165257
H -0.347785 -1.670996 -1.933527
H 1.667161 -0.381178 -1.008235
H 0.911953 -4.536047 0.011273
H -3.220795 2.550835 3.010055
H -3.095815 3.156142 -0.543222
H -6.339926 -2.079305 0.282440
H 3.273348 -4.751765 0.839278
H 4.816443 -2.753108 0.800610
H 2.084016 0.792395 1.098384
H 5.633802 1.410958 -1.332222
H 1.596504 3.223771 1.031041
H 5.174669 3.893766 -1.359205
H 3.144869 4.806567 -0.184704


