%chk=000076420.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000076420

0 1
 S   0.3092000       1.891700     -0.5189000    
 S   -1.108700       1.167300      -1.811700    
 S    2.922700      0.6976000      -2.564800    
 S   -2.991700      -1.799700      -1.412100    
 P    1.923800      0.5517000     -0.8793000    
 P   -2.119300     -0.2499000     -0.5814000    
 O    1.334700     -0.9534000     -0.6273000    
 O    2.880900      0.6779000      0.4392000    
 O   -1.065200     -0.7519000      0.5628000    
 O   -3.160900      0.5876000      0.3620000    
 C    2.110500      -2.091900     -0.9615000    
 C    3.935100       1.624700      0.4854000    
 C   -1.524300      -1.187000       1.831600    
 C   -4.018600       1.560600     -0.2105000    
 C    1.188100      -3.283600      -1.167800    
 C    3.127000      -2.346100      0.1411000    
 C    4.968100       1.174500       1.507100    
 C    3.364000       2.993700      0.8221000    
 C  -0.3972000      -1.054800       2.844500    
 C   -2.020600      -2.620500       1.719900    
 C   -4.445500       2.547300      0.8656000    
 C   -5.212100      0.8640000     -0.8462000    
 H    2.638600      -1.947800      -1.906100    
 H    4.453100       1.682100     -0.4744000    
 H   -2.341500     -0.5526000       2.187500    
 H   -3.497600       2.135900     -0.9788000    
 H   0.6259000      -3.503000     -0.2545000    
 H    1.748700      -4.178200      -1.455500    
 H   0.4519000      -3.065700      -1.948800    
 H    2.652400      -2.330800       1.127900    
 H    3.623900      -3.312200      5.7000001E-03
 H    3.905600      -1.579100      0.1430000    
 H    4.516300       1.074100       2.500100    
 H    5.802200       1.880000       1.570900    
 H    5.365200      0.1892000       1.241300    
 H    2.705700       2.944500       1.696100    
 H    4.162100       3.714900       1.025800    
 H    2.775700       3.388700     -1.0500000E-02
 H   0.4632000      -1.666100       2.550700    
 H  -0.7185000      -1.358400       3.845300    
 H  -4.4900000E-02 -1.8500000E-02   2.888900    
 H   -1.361900      -3.232300       1.096600    
 H   -2.088400      -3.087200       2.708900    
 H   -3.028200      -2.660400       1.300400    
 H   -4.973900       2.034800       1.677000    
 H   -5.097300       3.326700      0.4594000    
 H   -3.567300       3.024400       1.314100    
 H   -5.633000      0.1042000     -0.1792000    
 H   -5.999700       1.583300      -1.095000    
 H   -4.931300      0.3716000      -1.780100    


%chk=000076420-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000076420

0 1
S 0.234845 1.528806 -0.272311
S -0.970910 0.545696 -1.919033
S 3.292890 0.835050 -2.389172
S -3.498991 -1.868512 -2.317807
P 2.298764 0.464072 -0.611942
P -2.526983 -0.838705 -0.817713
O 1.908528 -1.167563 -0.219156
O 3.058557 0.950579 0.872930
O -1.760514 -1.791836 0.376966
O -3.395834 0.277253 0.191524
C 2.359216 -2.297540 -1.128055
C 4.085303 2.058229 0.858793
C -1.632907 -1.365640 1.839461
C -4.204951 1.383828 -0.446997
C 1.373466 -3.433006 -0.846011
C 3.820610 -2.639104 -0.815007
C 4.844939 1.867849 2.174095
C 3.390521 3.420076 0.730861
C -0.330472 -2.011097 2.311325
C -2.882816 -1.844509 2.585300
C -4.014885 2.594048 0.470807
C -5.658040 0.912847 -0.578941
H 2.257335 -1.939022 -2.171236
H 4.749428 1.882626 -0.011177
H -1.560228 -0.263715 1.860703
H -3.768325 1.590260 -1.445331
H 1.501426 -3.814174 0.182234
H 1.558851 -4.262681 -1.552713
H 0.332695 -3.089803 -0.962652
H 3.933924 -2.892244 0.253600
H 4.136028 -3.511683 -1.416598
H 4.489467 -1.795335 -1.058921
H 4.166316 2.000031 3.034495
H 5.656265 2.614997 2.247858
H 5.287114 0.859123 2.227511
H 2.666565 3.563303 1.552403
H 4.141787 4.229499 0.782893
H 2.858862 3.512596 -0.232948
H -0.403259 -3.111874 2.255843
H -0.142967 -1.726183 3.363617
H 0.516806 -1.675521 1.692303
H -2.997926 -2.937501 2.480601
H -2.784502 -1.607466 3.661475
H -3.787515 -1.346209 2.199776
H -4.383886 2.368214 1.486778
H -4.583487 3.456345 0.076891
H -2.949613 2.873810 0.535055
H -6.072909 0.665551 0.414051
H -6.273629 1.716385 -1.024127
H -5.727957 0.021749 -1.225802


