%chk=000149376.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149376

0 1
 S  -0.8166000       1.401000      0.4722000    
 O   0.3522000      0.3458000      2.6000001E-02
 O    5.442400       1.324400     -0.2617000    
 O  -0.8044000       2.530800     -0.4364000    
 O  -0.7260000       1.583100       1.908600    
 N    4.023700     -0.1952000     -0.1289000    
 N    4.558300      0.7294000     -0.8857000    
 C    2.586100     -0.4224000     -0.3254000    
 C    2.355500      -1.681300      0.5064000    
 C    3.630900      -2.492600      0.3321000    
 C    4.667000      -1.511100     -0.2053000    
 C    1.708600      0.7301000      0.1541000    
 C   -2.324500      0.5398000      0.1554000    
 C   -2.881700     -0.2410000       1.155000    
 C   -2.925700      0.6584000      -1.087000    
 C   -4.690800     -0.8130000     -0.3405000    
 C   -4.073000     -0.9222000      0.9052000    
 C   -4.117200     -2.2800000E-02  -1.336600    
 C   -5.964900      -1.540900     -0.6076000    
 H    2.356800     -0.6543000      -1.376300    
 H    1.473800      -2.241500      0.1784000    
 H    2.221300      -1.439300       1.568600    
 H    3.942700      -2.931300       1.285900    
 H    3.474400      -3.310200     -0.3804000    
 H    5.587600      -1.544800      0.3881000    
 H    4.918900      -1.785300      -1.239000    
 H    1.885100       1.626800     -0.4504000    
 H    1.919000      0.9748000       1.202100    
 H   -2.412900     -0.3455000       2.128700    
 H   -2.491900       1.261000      -1.879000    
 H   -4.510300      -1.534800       1.689300    
 H   -4.589200      6.9899999E-02  -2.311300    
 H   -6.047400      -1.818300      -1.664100    
 H   -6.019000      -2.468700     -2.8000001E-02
 H   -6.819900     -0.9113000     -0.3424000    


%chk=000149376-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149376

0 1
S -0.858561 1.482630 0.619347
O 0.323655 0.203160 -0.082102
O 5.780741 0.897803 -1.050315
O -0.750963 2.827151 -0.277436
O -0.623541 1.542284 2.221299
N 3.997292 -0.306297 -0.473275
N 4.492347 0.791624 -1.116898
C 2.532926 -0.587063 -0.492093
C 2.415603 -1.792469 0.475508
C 3.790772 -2.508641 0.368875
C 4.810887 -1.357812 0.197989
C 1.732797 0.658159 -0.061143
C -2.431081 0.552960 0.223835
C -2.936354 -0.331921 1.188984
C -3.047484 0.795107 -1.013823
C -4.803000 -0.809094 -0.353301
C -4.134722 -1.012844 0.883732
C -4.244620 0.100744 -1.291067
C -6.106394 -1.524535 -0.654227
H 2.223200 -0.870206 -1.516451
H 1.567296 -2.442662 0.212077
H 2.249287 -1.422374 1.504212
H 4.010980 -3.127177 1.254393
H 3.813845 -3.166100 -0.519115
H 5.195363 -0.974681 1.162532
H 5.684129 -1.603905 -0.430319
H 1.884230 1.492117 -0.768735
H 2.029953 0.967094 0.960433
H -2.421030 -0.470390 2.144536
H -2.615550 1.506940 -1.724157
H -4.554888 -1.710994 1.616310
H -4.749892 0.267472 -2.248965
H -6.230263 -1.705638 -1.735795
H -6.167237 -2.495166 -0.132878
H -6.970823 -0.917777 -0.321866


