%chk=000128547.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128547

0 1
 S   -5.833900       2.708000      -1.144800    
 O    2.407100      -1.167300      -2.042000    
 O    2.708500       2.002900     -0.1047000    
 O   -1.248500      -3.508500      0.5068000    
 O   -1.666900       1.668700     -0.7693000    
 O    2.611300       3.507000       1.635500    
 N    3.033600     -0.9303000       1.663800    
 N    1.096300      -1.945600     -0.2205000    
 N   -3.955700      0.4266000     -2.3300000E-02
 N    4.441800       3.412500      0.2472000    
 C    3.163000     -0.9178000      0.2087000    
 C    1.981900     -0.8659000     -0.7127000    
 C    3.077400      -2.204800      0.9683000    
 C    1.789500      -2.901600      0.6334000    
 C    1.057900      0.3951000     -0.7352000    
 C  -0.2008000      -1.500400     -0.1314000    
 C  -0.3003000     -0.2065000     -0.4330000    
 C    1.428200       1.506900      0.2413000    
 C   -1.357200      -2.314400      0.2501000    
 C   -1.588500      0.4891000     -0.4405000    
 C    3.131000     -8.6800002E-02  -2.608800    
 C   -2.681100      -1.608400      0.2955000    
 C   -2.797700     -0.3019000     -2.7799999E-02
 C   -3.828200      -2.486200      0.7207000    
 C    3.199700       3.016400      0.6777000    
 C   -4.138300       1.612500      0.7692000    
 C   -5.530200       2.200900      0.5758000    
 H    4.123200     -0.6121000     -0.1740000    
 H    3.946100      -2.827600       1.103300    
 H    2.078900     -0.7256000       1.953600    
 H    1.982800      -3.824600      7.8299999E-02
 H    1.227800      -3.137000       1.543400    
 H   0.9858000      0.8301000      -1.736800    
 H    1.408700       1.170600       1.282400    
 H   0.7065000       2.328300      0.1537000    
 H    3.744400      0.4821000      -1.907900    
 H    2.460300      0.5850000      -3.151800    
 H    3.807800     -0.5110000      -3.357900    
 H   -4.765900      -1.940300      0.8533000    
 H   -3.605000      -2.964800       1.680600    
 H   -4.001900      -3.269000     -2.5100000E-02
 H   -4.798900     -0.1288000     -0.1397000    
 H   -4.016500       1.357300       1.829300    
 H   -3.400400       2.389700      0.5503000    
 H    4.888100       2.974300     -0.5516000    
 H    4.951700       4.154500      0.7148000    
 H   -6.298100       1.471100      0.8537000    
 H   -5.656600       3.077600       1.218900    
 H   -7.082000       3.159000     -0.9517000    


%chk=000128547-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128547

0 1
S -7.072748 1.141696 0.181359
O 2.513083 -1.061377 -1.978504
O 2.854314 2.133809 0.000730
O -1.304258 -3.470230 0.376173
O -1.575340 1.994802 -0.555096
O 2.796657 3.591382 1.855271
N 2.737964 -1.278591 1.861291
N 1.047918 -1.862963 -0.315072
N -3.992485 0.508787 -0.016476
N 4.608936 3.541182 0.362174
C 3.119029 -1.007009 0.417283
C 2.008244 -0.764885 -0.620431
C 2.960507 -2.441254 0.914316
C 1.718420 -3.055309 0.244595
C 1.129510 0.545389 -0.610110
C -0.226470 -1.378375 -0.171866
C -0.275896 -0.000594 -0.366535
C 1.518005 1.621389 0.411911
C -1.435476 -2.208411 0.146907
C -1.511216 0.722867 -0.352488
C 3.609690 -0.195724 -2.441702
C -2.699596 -1.500450 0.179819
C -2.766383 -0.110913 -0.065362
C -3.946481 -2.302345 0.491933
C 3.377808 3.142702 0.839017
C -4.370718 1.912281 -0.261675
C -5.588543 2.287690 0.594133
H 4.083623 -0.517671 0.279985
H 3.810047 -3.087092 1.146011
H 1.725678 -1.120681 2.043049
H 2.020288 -3.746385 -0.563274
H 1.032958 -3.585142 0.925140
H 1.191592 0.998833 -1.617349
H 1.587377 1.235499 1.443875
H 0.786797 2.446368 0.384728
H 4.575531 -0.481574 -1.981083
H 3.407074 0.872248 -2.231987
H 3.665435 -0.360659 -3.529090
H -4.457958 -1.943233 1.408292
H -3.662129 -3.354065 0.654086
H -4.683112 -2.276697 -0.336988
H -4.808611 -0.100886 0.133297
H -3.517207 2.567030 -0.028839
H -4.597081 2.064621 -1.337681
H 4.999827 3.131404 -0.482036
H 5.110093 4.267446 0.865585
H -5.363190 2.173999 1.666331
H -5.895254 3.323384 0.383937
H -7.559555 1.026709 1.471514


