%chk=000005129.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005129

0 1
 S   -1.874300     -0.5099000     -0.9315000    
 O    4.582100      0.9684000      0.9277000    
 O    5.528200      2.9500000E-02  -2.394600    
 O    6.884800      -1.577000     -0.1183000    
 O    7.116600       1.807000       1.736200    
 O   -9.110900     -0.4843000     -0.1376000    
 O   -8.746000       1.669000      8.4299996E-02
 N    2.863900      0.7859000     -0.6897000    
 N   0.7940000       1.296900      -1.344700    
 N    2.452600      -1.377400      0.3363000    
 N   9.4400004E-02  -1.990600      0.1993000    
 N   -8.333500      0.4848000      3.8899999E-02
 C    5.116100     -0.2323000      -1.064400    
 C    4.304800      0.9211000     -0.4855000    
 C    6.290900     -0.2927000     -0.1116000    
 C    5.621200      1.7300000E-02   1.217600    
 C    6.569900      0.6026000       2.248300    
 C    2.074900     -0.2617000     -0.3055000    
 C    2.048100       1.696400      -1.308900    
 C   0.7963000      7.4500002E-02 -0.7210000    
 C  -0.2151000     -0.8408000     -0.4470000    
 C    1.390000      -2.184600      0.5457000    
 C   -2.756900     -0.5241000      0.6598000    
 C   -4.227900     -0.2581000      0.4952000    
 C   -5.098500      -1.321700      0.2984000    
 C   -4.696900       1.048000      0.5428000    
 C   -6.462900      -1.074800      0.1464000    
 C   -6.061400       1.295100      0.3909000    
 C   -6.944500      0.2336000      0.1927000    
 H    4.584000      -1.188600      -1.077800    
 H    4.605200       1.882500     -0.9192000    
 H    7.054700      0.4394000     -0.3955000    
 H    5.149300     -0.8781000       1.640800    
 H    7.383900     -9.1399997E-02   2.478300    
 H    6.029500      0.8474000       3.168200    
 H    4.725300      0.1473000      -2.930400    
 H    6.209800      -2.229400      0.1345000    
 H    2.420800       2.627700      -1.713200    
 H    7.715400       2.161000       2.415600    
 H    1.601400      -3.115200       1.061400    
 H   -2.311700      0.2275000       1.322500    
 H   -2.607500      -1.494600       1.147600    
 H   -4.733900      -2.344500      0.2599000    
 H   -4.017700       1.882000      0.6958000    
 H   -7.121200      -1.926300     -6.3999998E-03
 H   -6.400500       2.327100      0.4324000    


%chk=000005129-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005129

0 1
S -1.845072 -0.733815 -2.225373
O 4.218606 1.553276 0.534446
O 6.476038 -0.449061 -0.880658
O 4.180632 -1.404546 1.887233
O 7.203191 1.595130 0.723370
O -8.084195 1.480672 1.253157
O -6.583109 1.654933 2.962041
N 2.938784 0.451812 -1.173615
N 1.137715 0.655128 -2.601180
N 1.878510 -0.994281 0.556312
N -0.440174 -1.528227 0.029616
N -6.931805 1.245462 1.787501
C 5.153775 -0.556139 -0.288418
C 4.300764 0.705402 -0.661568
C 5.184943 -0.561898 1.277265
C 4.998170 0.937501 1.652337
C 6.284379 1.738027 1.880667
C 1.897650 -0.276988 -0.600278
C 2.414635 0.992208 -2.365915
C 0.789599 -0.143111 -1.498948
C -0.404771 -0.815591 -1.134474
C 0.679753 -1.592402 0.808400
C -3.083032 -1.843375 -1.264847
C -4.085245 -1.037476 -0.476958
C -5.368047 -0.749925 -1.014432
C -3.756274 -0.562678 0.822316
C -6.308333 -0.001379 -0.280993
C -4.682642 0.185673 1.570485
C -5.948853 0.456998 1.004845
H 4.718265 -1.489051 -0.678189
H 4.822507 1.253525 -1.467536
H 6.157007 -0.956753 1.616371
H 4.372747 1.007611 2.560725
H 6.805566 1.353638 2.777250
H 6.033360 2.803848 2.032030
H 6.972232 0.265101 -0.366868
H 3.267495 -1.243793 1.447514
H 3.020781 1.619928 -3.016332
H 7.443797 2.477078 0.356509
H 0.608072 -2.183630 1.724521
H -2.448604 -2.468150 -0.615658
H -3.552800 -2.452629 -2.052026
H -5.630314 -1.114760 -2.013967
H -2.766515 -0.788017 1.233132
H -7.300516 0.230234 -0.676877
H -4.451871 0.558392 2.571769


