%chk=000084746.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084746

0 1
 S    2.079400       1.794900     -7.1999997E-02
 O    1.723100       2.498300       1.355200    
 O    3.501000       1.507000     -7.1699999E-02
 O    1.466600       2.568800      -1.133700    
 C    3.494100     -0.8711000     -1.6600000E-02
 C    1.999800     -0.9132000     -8.3999997E-03
 C   -4.464500     -8.1299998E-02  2.0000001E-03
 C    1.230100      0.2502000     -3.1900000E-02
 C  -0.1726000      0.1816000     -2.3900000E-02
 C   -2.975800      9.8000001E-03 -7.3000002E-03
 C  -0.8034000      -1.084900      8.3999997E-03
 C    4.097100      -2.308400      1.3700000E-02
 C    4.041900     -0.1018000       1.223800    
 C    4.135900     -0.1732000      -1.259600    
 C   -2.206100      -1.153500      1.6300000E-02
 C    1.379600      -2.158500      2.3300000E-02
 C  -1.2800000E-02  -2.245400      3.1700000E-02
 C  -0.9631000       1.342100     -4.7400001E-02
 C   -2.355500       1.255300     -3.9200000E-02
 C   -5.109600       1.123900     -0.7502000    
 C   -5.022400     -7.9700001E-02   1.459000    
 C   -5.063000      -1.360700     -0.6714000    
 H    3.828200      -2.899400     -0.8705000    
 H    3.822900      -2.863600      0.9192000    
 H    5.194200      -2.251700      1.9900000E-02
 H    4.311800     -0.8700000       1.969200    
 H    5.009400      0.4025000       1.088600    
 H    3.338200      0.4728000       1.834400    
 H    3.468100      0.4121000      -1.905800    
 H    4.413500     -0.9675000      -1.972600    
 H    5.102700      0.3174000      -1.082400    
 H   -2.673600      -2.133500      5.7599999E-02
 H    1.894200      -3.110900      4.1600000E-02
 H  -0.4774000      -3.229300      5.6100000E-02
 H   -2.907400       2.188500     -2.5300000E-02
 H  -0.5609000       2.347400     -2.7600000E-02
 H   -6.192000      0.9832000     -0.8597000    
 H   -4.987900       2.069900     -0.2116000    
 H   -4.692600       1.236900      -1.757900    
 H   -4.715200      0.8257000       1.995500    
 H   -6.117500     -0.1195000       1.468500    
 H   -4.646300     -0.9397000       2.025200    
 H   -6.156900      -1.309600     -0.7258000    
 H   -4.683000      -1.476900      -1.693100    
 H   -4.820500      -2.271400     -0.1131000    
 H    1.840200       1.940100       2.158600    


%chk=000084746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000084746

0 1
S 1.990205 2.041876 0.295884
O 1.107419 2.399677 1.908712
O 3.549984 2.279729 0.675135
O 1.389081 2.990806 -0.866827
C 3.687556 -0.985515 -0.086372
C 2.127714 -0.904967 -0.022563
C -4.598710 -0.130027 -0.015058
C 1.294277 0.228487 0.096340
C -0.153005 0.219713 0.071113
C -3.057475 -0.057589 0.008107
C -0.800064 -1.075131 -0.031888
C 4.181004 -2.427672 -0.416216
C 4.302006 -0.626939 1.303340
C 4.243028 -0.081745 -1.231205
C -2.229393 -1.179508 -0.055969
C 1.402753 -2.149395 -0.116142
C 0.017941 -2.238305 -0.110213
C -1.022222 1.364033 0.129405
C -2.406507 1.220806 0.098999
C -5.131628 0.671370 -1.241624
C -5.159930 0.500049 1.296262
C -5.118111 -1.586302 -0.118392
H 3.793599 -2.798790 -1.383104
H 3.932913 -3.156626 0.376801
H 5.282281 -2.397287 -0.491297
H 3.924127 -1.318631 2.079001
H 5.401645 -0.736998 1.253073
H 4.085086 0.407997 1.603632
H 4.110771 0.992429 -1.040819
H 3.768453 -0.342400 -2.195111
H 5.330738 -0.254671 -1.330033
H -2.654760 -2.185447 -0.130468
H 1.979069 -3.070127 -0.200606
H -0.462579 -3.221113 -0.180063
H -3.016432 2.129754 0.145098
H -0.610149 2.370544 0.194759
H -6.237179 0.643444 -1.261073
H -4.821849 1.731034 -1.206521
H -4.757127 0.240276 -2.187984
H -4.844856 1.551978 1.414736
H -6.265655 0.477096 1.283705
H -4.811244 -0.059761 2.183255
H -6.223221 -1.585240 -0.129316
H -4.775098 -2.077917 -1.047643
H -4.792979 -2.198824 0.742996
H 1.640524 3.139529 2.325252


