%chk=000047919.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047919

0 1
 S  -0.3503000      -1.235900     -0.1228000    
 O   0.7234000      3.1999999E-03 -0.1317000    
 O  -0.1800000      -1.986300       1.112400    
 O  -0.2568000      -1.900600      -1.415500    
 O    5.690600     -0.7349000      0.2325000    
 N    4.309700      0.7968000     -0.2277000    
 N    4.770900     -4.6500001E-02  0.6907000    
 C   -1.916000     -0.4689000     -3.1700000E-02
 C    2.113400     -0.2761000     -0.2005000    
 C    2.890600       1.027500     -0.1946000    
 C   -2.593300     -0.1262000      -1.202000    
 C   -2.489800     -0.1988000       1.210800    
 C   -4.417800      0.7571000      0.1123000    
 C   -3.844100      0.4870000      -1.129900    
 C   -3.740600      0.4142000       1.282800    
 C   -5.755500       1.412100      0.1897000    
 C    5.045500       2.076200     -0.1748000    
 H    2.364500     -0.9074000      0.6590000    
 H    2.318300     -0.8406000      -1.117900    
 H    2.575200       1.621700      -1.062600    
 H    2.592000       1.611400      0.6882000    
 H   -2.163100     -0.3205000      -2.180400    
 H   -1.978200     -0.4495000       2.135700    
 H   -4.362000      0.7491000      -2.048700    
 H   -4.177500      0.6195000       2.256500    
 H   -5.842300       2.027700       1.091600    
 H   -5.921500       2.074400     -0.6668000    
 H   -6.544700      0.6540000      0.2049000    
 H    4.725500       2.732800     -0.9924000    
 H    6.123400       1.920500     -0.3080000    
 H    4.886700       2.605300      0.7732000    


%chk=000047919-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047919

0 1
S -0.400892 -1.479535 -0.095611
O 0.706819 0.020615 -0.279020
O -0.076179 -2.155672 1.341376
O -0.320762 -2.358024 -1.453071
O 6.126582 -0.335577 -0.214009
N 4.287849 0.966482 -0.066824
N 4.842934 -0.301361 -0.193190
C -2.013990 -0.537282 -0.025285
C 2.151768 -0.331183 -0.265159
C 2.816127 1.036616 -0.024254
C -2.695573 -0.303411 -1.229716
C -2.484285 -0.126269 1.231574
C -4.450976 0.827749 0.085856
C -3.924725 0.387086 -1.158195
C -3.716546 0.561265 1.272482
C -5.788439 1.540781 0.149055
C 5.090522 2.195126 0.044996
H 2.373747 -1.041792 0.550778
H 2.450681 -0.770760 -1.231369
H 2.467766 1.747154 -0.799181
H 2.489920 1.430283 0.958202
H -2.287701 -0.658745 -2.181114
H -1.917410 -0.349740 2.140708
H -4.480824 0.586316 -2.081110
H -4.111300 0.894987 2.238637
H -5.847815 2.217322 1.018779
H -5.976196 2.133882 -0.762560
H -6.616229 0.811457 0.242274
H 4.869198 2.881270 -0.792755
H 6.152089 1.897900 0.010532
H 4.880041 2.711361 0.999473


