%chk=000009653.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000009653

1 1
 S    3.076700      0.8964000     -0.7647000    
 O   0.3301000      0.4951000      -1.988000    
 N   -3.515000      0.6158000      0.1193000    
 C   -2.240200      9.3300000E-02 -0.5272000    
 C   -1.005600      0.8449000     -1.5900001E-02
 C   0.3766000      0.3670000     -0.5580000    
 C   -3.679400       2.093700     -0.2049000    
 C   -4.710200     -0.1576000     -0.4189000    
 C   -3.430400      0.4338000       1.627900    
 C   0.6331000      -1.092100     -0.1586000    
 C    1.565000       1.258300     -0.1270000    
 C   0.8118000      -1.384800       1.171800    
 C   0.6736000      -2.044000      -1.148300    
 C    1.509000       2.298000      0.7113000    
 C    2.806800       2.866600      0.8618000    
 C    1.045300      -2.711200       1.534700    
 C   0.9070000      -3.370400     -0.7854000    
 C    3.753100       2.201200      0.1140000    
 C    1.092800      -3.704000      0.5561000    
 H   -2.180000     -0.9764000     -0.2983000    
 H   -2.364400      0.2109000      -1.609000    
 H  -0.9634000      0.8252000       1.076700    
 H   -1.103400       1.895300     -0.3149000    
 H   -3.580600       2.229800      -1.285900    
 H   -4.678500       2.401400      0.1204000    
 H   -2.937100       2.682500      0.3396000    
 H   -4.575800      -1.215400     -0.1742000    
 H   -5.618800      0.2297000      5.1700000E-02
 H   -4.753800     -1.6600000E-02  -1.503000    
 H   -3.122300     -0.5936000       1.842600    
 H   -2.734600       1.157800       2.058000    
 H   -4.425300      0.6190000       2.046200    
 H  -0.4600000      4.8099998E-02  -2.330600    
 H   0.7758000     -0.6247000       1.945400    
 H   0.5386000      -1.829800      -2.202100    
 H   0.6291000       2.672800       1.216300    
 H    3.034900       3.719900       1.487200    
 H    1.189500      -2.971100       2.579400    
 H   0.9451000      -4.143900      -1.547000    
 H    4.809500       2.418700      4.1999999E-02
 H    1.274700      -4.736700      0.8388000    


%chk=000009653-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000009653

1 1
S 1.282134 3.148929 -0.116390
O 0.034552 0.526857 -1.848357
N -3.625316 0.634416 -0.024230
C -2.201381 0.071178 -0.282034
C -1.051896 0.949417 0.231976
C 0.294981 0.437917 -0.380432
C -3.851096 1.919292 -0.818619
C -4.631030 -0.416500 -0.494827
C -3.841348 0.901612 1.461848
C 0.551648 -1.025007 0.047803
C 1.456412 1.338610 -0.013884
C 0.781102 -1.333905 1.414909
C 0.522079 -2.075119 -0.899861
C 2.768809 0.998442 0.293465
C 3.645936 2.129151 0.467249
C 0.980210 -2.670326 1.823574
C 0.729382 -3.413959 -0.490808
C 3.016344 3.348618 0.287182
C 0.956643 -3.716441 0.870258
H -2.176194 -0.924170 0.193365
H -2.107541 -0.049148 -1.374471
H -0.971998 0.921528 1.331665
H -1.176406 1.998330 -0.090334
H -3.646475 1.721961 -1.881585
H -4.895926 2.240451 -0.686686
H -3.174885 2.703667 -0.452373
H -4.488363 -1.337609 0.090154
H -5.652820 -0.033735 -0.348558
H -4.457316 -0.624000 -1.561449
H -3.634258 -0.021306 2.024916
H -3.161989 1.699885 1.791989
H -4.885201 1.213142 1.622086
H 0.902938 0.619664 -2.316753
H 0.832044 -0.528929 2.158359
H 0.339065 -1.842765 -1.953430
H 3.100007 -0.036952 0.399764
H 4.705036 2.038831 0.717376
H 1.166765 -2.894807 2.879265
H 0.716851 -4.216791 -1.235758
H 3.426598 4.354596 0.357527
H 1.121204 -4.752124 1.185409


