%chk=000106057.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106057

0 1
 S   0.4006000      -4.260100      0.4910000    
 S   -2.656400       2.500000       1.703500    
 O    1.176500       2.403300     -0.1929000    
 O    4.931100      -1.397500     -0.2259000    
 O   0.9391000      -4.688700       1.971900    
 O   -1.051900      -4.275400      0.5419000    
 O    1.121800      -5.040000     -0.4996000    
 O   -1.811600       3.697700      0.9821000    
 O   -3.886900       3.088300       2.207600    
 O   -1.757300       1.779100       2.588700    
 N  -0.7564000      0.6857000      0.1565000    
 N    3.207900      -3.297000      0.1206000    
 N   -6.951200     -0.6630000     -0.6907000    
 C    1.636600      8.4100001E-02 -2.9899999E-02
 C    2.617200     -0.9102000     -3.7999999E-02
 C   0.2907000     -0.2640000      0.1373000    
 C    2.252100      -2.252300      0.1215000    
 C   0.9099000      -2.594600      0.2881000    
 C    2.007700       1.504100     -0.1964000    
 C    3.431200       1.857200     -0.3728000    
 C    4.411900      0.8630000     -0.3814000    
 C    4.040700     -0.5569000     -0.2140000    
 C  -6.8700001E-02  -1.602600      0.2961000    
 C   -2.108700      0.6173000     -0.2227000    
 C   -3.080400       1.399200      0.4091000    
 C    3.796200       3.199400     -0.5325000    
 C    5.757500       1.210900     -0.5492000    
 C   -4.785000      0.4476000      -1.014300    
 C   -2.484300     -0.2499000      -1.252800    
 C   -4.415500       1.314600      1.4000000E-02
 C   -3.819300     -0.3347000      -1.647800    
 C   -6.212200      0.3568000      -1.437100    
 C    5.138300       3.541700     -0.6997000    
 C    6.117000       2.549700     -0.7078000    
 C   -8.338200     -0.7128000      -1.124400    
 H   -1.107400      -1.868900      0.4659000    
 H  -0.4737000       1.591700      0.5155000    
 H    3.054200       3.993300     -0.5300000    
 H    6.541500      0.4585000     -0.5598000    
 H   -1.753900     -0.8519000      -1.786800    
 H   -5.183100       1.915500      0.4937000    
 H   -4.093600      -1.010800      -2.453400    
 H    2.935600      -4.258300      0.2672000    
 H    4.189700      -3.091300      3.1000001E-03
 H   -6.687900       1.337300      -1.302900    
 H   -6.257300      0.1453000      -2.513900    
 H    5.420800       4.583200     -0.8235000    
 H    7.161100       2.819100     -0.8381000    
 H   -6.521900      -1.574900     -0.8474000    
 H   0.5674000      -4.170100       2.723900    
 H   -2.304400       4.211300      0.2997000    
 H   -8.420300     -0.9702000      -2.185500    
 H   -8.844700      0.2416000     -0.9471000    
 H   -8.871900      -1.477800     -0.5518000    


%chk=000106057-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000106057

0 1
S 0.593522 -4.436685 0.114084
S -2.541719 2.468556 1.134521
O 1.003293 2.423168 -0.294610
O 5.151755 -1.211227 0.025399
O 0.594687 -4.432135 1.964946
O -0.917071 -4.640455 -0.420099
O 1.768229 -5.444396 -0.388084
O -1.611869 3.491359 -0.105896
O -3.848140 3.289191 1.597027
O -1.478206 1.932491 2.234574
N -0.731961 0.541736 -0.491174
N 3.504921 -3.194012 -0.015775
N -7.234940 0.185488 -0.163871
C 1.674475 0.098942 -0.232349
C 2.757085 -0.849006 -0.120125
C 0.309154 -0.359487 -0.333627
C 2.500592 -2.273951 -0.069760
C 1.110189 -2.646636 -0.086691
C 1.959251 1.547570 -0.227167
C 3.358975 2.009655 -0.143297
C 4.425855 1.071003 -0.062596
C 4.156226 -0.387658 -0.048103
C 0.056220 -1.760200 -0.202467
C -2.106002 0.274522 -0.668539
C -3.084922 1.103030 -0.054245
C 3.642606 3.400618 -0.147535
C 5.764341 1.532324 0.012412
C -4.940121 -0.076734 -1.076766
C -2.607028 -0.752968 -1.514893
C -4.462838 0.963421 -0.242164
C -3.993152 -0.928215 -1.696625
C -6.435771 -0.241301 -1.322133
C 4.973355 3.850216 -0.072519
C 6.037577 2.913067 0.007349
C -8.677245 0.350865 -0.414045
H -0.969026 -2.139143 -0.164388
H -0.401625 1.537571 -0.445216
H 2.806174 4.102345 -0.212239
H 6.563612 0.788168 0.074975
H -1.905979 -1.388385 -2.063974
H -5.178481 1.629233 0.252590
H -4.341602 -1.735920 -2.350986
H 3.292063 -4.197179 -0.060289
H 4.464966 -2.803383 0.015841
H -6.732935 0.401960 -2.176992
H -6.634910 -1.292844 -1.649178
H 5.189470 4.923632 -0.075795
H 7.072495 3.266254 0.065745
H -7.034847 -0.370842 0.676235
H 0.356430 -5.354027 2.277509
H -0.666599 3.593940 0.222553
H -9.191660 -0.569295 -0.782425
H -8.832552 1.145957 -1.166766
H -9.176116 0.672404 0.516444


