%chk=000042858.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042858

0 1
 S   0.2092000      4.1299999E-02   1.552400    
 O   0.5782000      -1.240600       2.133000    
 O  -5.9000000E-02   1.180900       2.417300    
 O   0.4804000      -1.976900      -1.383400    
 O    1.950100      -2.785700      0.1503000    
 C   -1.278600     -0.1916000      0.6202000    
 C   -1.916700      0.8861000      3.0900000E-02
 C    1.495300      0.4621000      0.4415000    
 C   -3.087500      0.6712000     -0.6963000    
 C   -1.776400      -1.478800      0.5040000    
 C    2.014800     -0.4719000     -0.4548000    
 C   -1.372400       2.273500      0.1631000    
 C   -3.602700     -0.6189000     -0.8233000    
 C   -2.947200      -1.693900     -0.2233000    
 C    2.000700       1.762000      0.4651000    
 C   -3.811100       1.803900      -1.348600    
 C    3.039600     -0.1060000      -1.327600    
 C    3.025500       2.128000     -0.4077000    
 C    3.544900       1.193900      -1.304000    
 C    1.512900      -1.838600     -0.5087000    
 H   -1.292100      -2.335100      0.9621000    
 H   -1.384600       2.620600       1.198200    
 H  -0.3804000       2.350100     -0.2775000    
 H   -1.955500       3.024800     -0.3762000    
 H   -4.513700     -0.8049000      -1.386000    
 H   -3.348500      -2.698400     -0.3219000    
 H    1.625400       2.511300       1.155900    
 H   -3.181600       2.285800      -2.104000    
 H   -4.713300       1.457600      -1.865900    
 H   -4.138800       2.538200     -0.6053000    
 H    3.453000     -0.8247000      -2.030700    
 H    3.420400       3.139500     -0.3884000    
 H    4.343000       1.478700      -1.983200    
 H   0.1504000      -2.900200      -1.415700    


%chk=000042858-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000042858

0 1
S 0.176468 -0.060591 1.468303
O 0.531869 -1.522275 2.104034
O 0.053465 1.229707 2.477598
O 0.422869 -1.886110 -0.894723
O 2.501652 -2.643054 -1.607049
C -1.508493 -0.222837 0.565131
C -2.074698 0.863823 -0.135386
C 1.648296 0.448391 0.276280
C -3.373544 0.639785 -0.698980
C -2.119030 -1.468069 0.767142
C 2.277207 -0.404210 -0.661963
C -1.353282 2.191030 -0.290251
C -4.010504 -0.613106 -0.511096
C -3.403108 -1.659138 0.217874
C 2.165110 1.710703 0.602990
C -4.084183 1.727662 -1.487764
C 3.475920 0.056034 -1.271569
C 3.345399 2.158994 -0.033807
C 4.003825 1.326583 -0.966789
C 1.794128 -1.751349 -1.087362
H -1.597972 -2.239410 1.344331
H -0.945353 2.523939 0.680276
H -0.505433 2.104204 -0.996428
H -2.022534 2.975291 -0.673733
H -5.007004 -0.766741 -0.941430
H -3.923955 -2.611842 0.358572
H 1.663052 2.302586 1.377493
H -3.479201 2.078019 -2.344383
H -5.044264 1.356728 -1.883975
H -4.302243 2.612148 -0.859761
H 3.972458 -0.611421 -1.983614
H 3.753470 3.143885 0.215800
H 4.926902 1.663004 -1.449679
H 0.126410 -2.809060 -1.114582


