%chk=000065646.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065646

0 1
 S    1.338500       1.469100      0.7167000    
 O  -0.6682000      -1.034200      -2.303000    
 O   -3.025700      0.9204000     -0.4283000    
 O   -2.789500       3.054700      -1.280100    
 O    2.918300      -2.703800      0.8860000    
 O   -4.624100      -1.374800     -0.3990000    
 O   -6.367700      -1.675100       1.113800    
 O   -5.349700      -3.483900      0.1369000    
 N  -0.7184000      0.3270000     -0.3756000    
 N    2.063600      -1.185800     -0.6442000    
 N    5.144900      -3.039700     -0.7144000    
 C   0.2298000      1.3200000E-02  0.6974000    
 C  -5.0299998E-02   2.582100      0.1670000    
 C  -0.8574000       1.701800     -0.8113000    
 C   0.6824000      -1.189200     -0.1422000    
 C  -0.3611000     -0.7196000      -1.175600    
 C  -0.8257000       3.021900       1.416300    
 C   0.5411000       3.803200     -0.5397000    
 C   -2.321800       1.997800     -0.8785000    
 C    3.081400      -1.956800     -7.7399999E-02
 C    4.429100      -1.761600     -0.7635000    
 C   -4.449100       1.068300     -0.4377000    
 C    5.208800     -0.6382000     -0.1123000    
 C   -5.098100     -0.1672000      7.3100001E-02
 C    5.052800      0.6528000     -0.5846000    
 C    6.058600     -0.9286000      0.9400000    
 C   -6.083900     -0.3370000      0.9283000    
 C    5.770600       1.687700      1.5100000E-02
 C    6.776300      0.1063000       1.539800    
 C    6.632300       1.414400       1.077200    
 C   -6.897200      0.6441000       1.686400    
 C   -5.440500      -2.269500      0.2733000    
 H  -0.2640000     -0.2219000       1.644700    
 H  -0.4621000       1.760500      -1.833800    
 H   0.4057000      -2.157900      0.2924000    
 H   -1.295200       2.176900       1.932400    
 H   -1.622200       3.728500       1.157400    
 H  -0.1729000       3.532600       2.134300    
 H    1.149400       3.518300      -1.405900    
 H    1.172800       4.393500      0.1344000    
 H  -0.2546000       4.463200     -0.9035000    
 H    2.303800     -0.5889000      -1.432300    
 H    4.267600      -1.526900      -1.823200    
 H   -4.719900       1.935900      0.1735000    
 H   -4.780200       1.243000      -1.468300    
 H    4.600400      -3.753100      -1.198500    
 H    6.019500      -2.959500      -1.232900    
 H    4.384900      0.8763000      -1.411300    
 H    6.178500      -1.932600       1.335200    
 H    5.657800       2.706300     -0.3446000    
 H    7.444000     -0.1052000       2.369900    
 H    7.190000       2.220400       1.545100    
 H   -7.958400      0.5199000       1.448500    
 H   -6.766600      0.4931000       2.762500    
 H   -6.622100       1.676900       1.455200    


%chk=000065646-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065646

0 1
S 1.271177 1.512723 0.866932
O 0.410941 -0.222011 -2.977643
O -3.163251 1.051425 -0.413516
O -2.911217 3.136615 -1.423012
O 2.591582 -3.355586 -0.020069
O -5.468122 -1.011196 -1.051918
O -6.407001 -1.724029 0.912116
O -6.455261 -3.164803 -0.974495
N -0.499879 0.422638 -0.814492
N 2.464315 -1.098961 -0.574566
N 5.277153 -3.233925 0.363090
C 0.278543 -0.032535 0.367229
C -0.251197 2.609244 0.333260
C -0.902663 1.825836 -0.900602
C 1.025032 -1.061395 -0.566730
C 0.310067 -0.293779 -1.743206
C -1.202038 2.714895 1.546113
C 0.261913 3.990887 -0.107632
C -2.411355 2.084768 -0.961078
C 3.163950 -2.265226 -0.318495
C 4.711765 -2.181804 -0.481875
C -4.656071 1.270179 -0.463893
C 5.277778 -0.795182 -0.152819
C -5.321506 0.016223 -0.057835
C 5.506504 0.153055 -1.181692
C 5.556329 -0.438956 1.190570
C -5.880600 -0.411064 1.111146
C 5.992267 1.445677 -0.872886
C 6.040333 0.850076 1.499654
C 6.256609 1.798358 0.470061
C -6.038955 0.177738 2.468987
C -6.145424 -2.103656 -0.448481
H -0.295509 -0.422759 1.218050
H -0.493369 2.247234 -1.839270
H 0.658817 -2.093922 -0.430725
H -1.586308 1.727210 1.854135
H -2.062228 3.371359 1.309622
H -0.663040 3.156238 2.400584
H 1.017387 3.903409 -0.907512
H 0.714555 4.532914 0.741081
H -0.582647 4.594652 -0.489341
H 2.985731 -0.230760 -0.730213
H 4.872239 -2.352440 -1.578346
H -4.908628 2.099602 0.218704
H -4.923879 1.565892 -1.492689
H 4.646512 -4.034362 0.478979
H 6.247935 -3.476540 0.159236
H 5.321710 -0.124074 -2.228201
H 5.405983 -1.197476 1.966103
H 6.171298 2.168235 -1.677012
H 6.252967 1.117887 2.541016
H 6.636709 2.797309 0.711982
H -7.106254 0.254169 2.743614
H -5.543582 -0.454876 3.227147
H -5.591818 1.183969 2.511933


