%chk=000059185.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059185

0 1
 S   -2.767500     -0.2301000     -0.5351000    
 O   0.1089000     -0.9916000      0.2514000    
 O    1.770200      -2.463100     -0.3600000    
 N    2.536200       2.185600      0.3636000    
 C   -4.373000      0.1427000      0.2253000    
 C   -5.098600       1.227300     -0.5630000    
 C   -2.218100      -1.505000      0.6223000    
 C  -0.8470000      -2.043600      0.2452000    
 C   -6.449000       1.547600      6.1099999E-02
 C    2.281700     -0.1584000     -2.6699999E-02
 C    1.385000      -1.340800     -7.1000002E-02
 C    3.616400     -0.3001000     -0.3202000    
 C    1.775600       1.069600      0.3058000    
 C    4.431400      0.8256000     -0.2713000    
 C    3.847800       2.034200      7.2800003E-02
 H   -4.209000      0.4746000       1.255900    
 H   -4.975500     -0.7715000      0.2475000    
 H   -4.498100       2.144600     -0.5927000    
 H   -5.257800      0.9049000      -1.599200    
 H   -2.170100      -1.056100       1.619900    
 H   -2.944600      -2.323200      0.6375000    
 H  -0.8788000      -2.511400     -0.7468000    
 H  -0.5494000      -2.804000      0.9772000    
 H   -6.331200       1.907000       1.088400    
 H   -6.957300       2.327100     -0.5152000    
 H   -7.093400      0.6628000      7.7699997E-02
 H    4.050100      -1.258600     -0.5875000    
 H   0.7340000       1.249300      0.5476000    
 H    5.489900      0.7591000     -0.4955000    
 H    4.440100       2.941800      0.1251000    


%chk=000059185-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059185

0 1
S -2.748457 0.102493 -0.287975
O 0.170883 -0.884607 0.350675
O 1.698348 -2.430105 -0.494592
N 2.930971 2.206721 0.425830
C -4.569544 0.141066 0.249856
C -5.305968 1.263231 -0.502145
C -2.164429 -1.308025 0.835304
C -0.885761 -1.934039 0.298789
C -6.796135 1.340049 -0.098584
C 2.409344 -0.140551 -0.040888
C 1.434873 -1.267683 -0.097597
C 3.753774 -0.384580 -0.419660
C 2.045584 1.169685 0.370756
C 4.677183 0.678548 -0.368515
C 4.223777 1.949233 0.060238
H -4.601483 0.313464 1.340969
H -5.016118 -0.845414 0.026585
H -4.810306 2.230376 -0.291827
H -5.221959 1.091729 -1.592759
H -2.014595 -0.920783 1.857103
H -2.957225 -2.077782 0.848819
H -0.994643 -2.277601 -0.745432
H -0.561083 -2.789207 0.920845
H -6.907290 1.538039 0.983956
H -7.309119 2.152100 -0.644746
H -7.322477 0.394215 -0.326401
H 4.041669 -1.390274 -0.742735
H 1.014001 1.391084 0.659748
H 5.723943 0.533764 -0.652054
H 4.911142 2.801154 0.116537


