%chk=000080359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080359

0 1
 S    1.080000      -3.867900      0.1944000    
 O  -0.7351000       2.624100      0.3765000    
 O   -3.832700      -1.671400     -0.3289000    
 O   0.9823000      -4.382500      -1.352400    
 O    2.489300      -3.677100      0.4945000    
 O   0.2516000      -4.733300       1.015800    
 N    1.439100       1.195200      0.5784000    
 N   -1.836900      -3.310300     -0.1625000    
 N    6.837800       1.979500     -0.7317000    
 C  -0.8223000      0.2614000      0.2094000    
 C   -1.631200     -0.8620000      2.5300000E-02
 C   0.5577000      0.1064000      0.3873000    
 C   -1.060200      -2.140200      1.8900000E-02
 C   0.3156000      -2.290000      0.1961000    
 C   -2.869100       1.764900      2.8400000E-02
 C   -3.678100      0.6415000     -0.1552000    
 C   -1.411700       1.615900      0.2172000    
 C   -3.088700     -0.7130000     -0.1634000    
 C    1.122700      -1.169100      0.3802000    
 C   -3.440000       3.043200      3.3900000E-02
 C   -5.058200      0.7964000     -0.3330000    
 C    2.792200       1.391600      0.2502000    
 C   -4.815700       3.193100     -0.1441000    
 C   -5.623000       2.072000     -0.3270000    
 C    3.591700       2.223700       1.037700    
 C    3.343100      0.7559000     -0.8651000    
 C    4.933800       2.418600      0.7119000    
 C    4.685300      0.9510000      -1.190800    
 C    5.480700       1.782300     -0.4024000    
 H    2.188000      -1.291100      0.5502000    
 H    1.026500       1.969400       1.090100    
 H   -2.834600       3.934600      0.1745000    
 H   -5.711500     -5.9799999E-02 -0.4778000    
 H   -1.409400      -4.224400     -0.1972000    
 H   -2.835900      -3.244800     -0.2961000    
 H   -5.258100       4.185100     -0.1399000    
 H   -6.693700       2.191600     -0.4651000    
 H    3.177900       2.724900       1.909300    
 H    2.742900      0.1234000      -1.513500    
 H    5.543400       3.068700       1.334300    
 H    5.098400      0.4541000      -2.064900    
 H    1.451300      -3.822700      -2.015000    
 H    7.234700       1.518800      -1.539800    
 H    7.414800       2.582500     -0.1606000    


%chk=000080359-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080359

0 1
S 1.197962 -3.856651 0.074920
O -0.741752 2.746359 0.302807
O -3.966220 -1.730584 -0.153747
O 1.373018 -3.958565 -1.776422
O 2.667555 -3.705629 0.725894
O 0.227779 -5.076191 0.546512
N 1.375262 1.324378 0.217839
N -1.913922 -3.284654 -0.087826
N 6.989735 1.894853 -0.399861
C -0.874491 0.336981 0.099742
C -1.714382 -0.834556 0.014674
C 0.566299 0.206087 0.148888
C -1.140471 -2.163709 -0.009865
C 0.296172 -2.214872 0.089100
C -2.941230 1.811766 0.063034
C -3.769580 0.657820 -0.042815
C -1.473755 1.676824 0.159320
C -3.180607 -0.702235 -0.062462
C 1.125543 -1.111014 0.161125
C -3.531934 3.102925 0.085077
C -5.178194 0.808998 -0.127015
C 2.783827 1.406149 0.056235
C -4.928326 3.243138 -0.001904
C -5.754890 2.091745 -0.108099
C 3.491404 2.380745 0.812294
C 3.510483 0.620559 -0.881527
C 4.876826 2.549469 0.661017
C 4.898396 0.778635 -1.029487
C 5.612661 1.739962 -0.255261
H 2.204031 -1.251965 0.281910
H 0.804677 2.203206 0.336827
H -2.870633 3.970159 0.170770
H -5.788599 -0.095475 -0.205276
H -1.490917 -4.214135 0.011963
H -2.936345 -3.109171 -0.140529
H -5.380789 4.240507 0.012825
H -6.842381 2.204391 -0.173961
H 2.943500 2.998178 1.532880
H 2.985493 -0.086483 -1.532038
H 5.399504 3.303828 1.261066
H 5.434439 0.165244 -1.763421
H 1.775488 -4.850802 -1.991293
H 7.515973 1.310381 -1.042796
H 7.498092 2.583601 0.146989


