%chk=000024226.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024226

0 1
 S    5.489700       2.350400     -6.7199998E-02
 O   0.7796000      -2.016500      -1.941700    
 O   -4.856700     -0.5582000      0.6506000    
 O    6.216100      -1.406500      0.9914000    
 O    6.434100       3.215300     -0.7496000    
 O    4.097000       2.732400      5.6299999E-02
 N   -1.418600     -0.7386000     -0.6445000    
 N    5.638600      0.7640000     -0.7184000    
 C  -9.7300000E-02 -0.8161000     -8.8000000E-03
 C   0.9986000     -0.8840000      -1.096000    
 C   -2.468600     -0.7550000      0.3590000    
 C    2.399900      -1.018800     -0.5397000    
 C   5.7999998E-02  0.3996000      0.9069000    
 C   -3.824600     -0.5884000     -0.3277000    
 C   -2.398200      -2.048300       1.171400    
 C    3.356500     -7.9300001E-02 -0.8815000    
 C    2.692300      -2.079500      0.2995000    
 C    4.647300     -0.2046000     -0.3677000    
 C    3.983000      -2.204600      0.8134000    
 C    4.960600      -1.267100      0.4798000    
 C   -5.989500      0.1431000      0.3310000    
 C    6.128800       2.079600       1.570700    
 C   -6.386300      0.2416000     -0.9979000    
 C   -6.730500      0.7502000       1.338700    
 C   -7.539200      0.9564000      -1.323300    
 C   -7.883300       1.464900       1.013300    
 C   -8.287500       1.568000     -0.3177000    
 H  -1.4500000E-02  -1.735100      0.5767000    
 H   0.9364000      5.7999999E-03  -1.736100    
 H   -2.405600      8.8000000E-02   1.055400    
 H   -1.483000      0.1107000      -1.205300    
 H  -0.5279000      0.3165000       1.827300    
 H  -0.2113000       1.333300      0.3992000    
 H    1.094700      0.5120000       1.242000    
 H   -3.798900      0.3479000     -0.9026000    
 H   -4.008800      -1.425600      -1.013200    
 H   -1.572100      -2.052600       1.889300    
 H   -2.306900      -2.928600      0.5244000    
 H   -3.306000      -2.186300       1.769300    
 H    3.111800      0.7395000      -1.552700    
 H    1.950300      -2.828000      0.5595000    
 H  -0.1280000      -1.950100      -2.284900    
 H    4.214000      -3.039300       1.470000    
 H    6.596100      0.3875000     -0.7341000    
 H    6.242700      -2.197200       1.557100    
 H    7.138700       1.672000       1.496500    
 H    5.466900       1.399700       2.109400    
 H    6.157800       3.044200       2.082700    
 H   -5.848900     -0.2422000      -1.807600    
 H   -6.419000      0.6725000       2.376400    
 H   -7.858000       1.031600      -2.358900    
 H   -8.466200       1.941000       1.796400    
 H   -9.185900       2.123300     -0.5709000    


%chk=000024226-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000024226

0 1
S 5.445027 2.059286 0.762960
O 0.298112 -2.004453 -1.703949
O -4.595508 0.106499 0.784664
O 6.194626 -1.886195 0.896464
O 6.606486 3.151478 0.468881
O 3.864108 2.421091 0.608522
N -1.249096 -0.113804 -0.801138
N 5.761003 0.505585 -0.486842
C 0.187655 0.075614 -0.411011
C 1.040496 -0.781438 -1.430852
C -2.246478 -0.171284 0.311558
C 2.415742 -1.124114 -0.881331
C 0.606430 1.556445 -0.347767
C -3.644356 -0.040264 -0.321737
C -2.129010 -1.484430 1.108867
C 3.476592 -0.200829 -0.978685
C 2.642915 -2.367650 -0.237949
C 4.738080 -0.465251 -0.383161
C 3.897379 -2.666758 0.340474
C 4.928684 -1.707987 0.298882
C -5.960783 0.230229 0.466485
C 5.675276 1.412156 2.565540
C -6.479704 0.210051 -0.851776
C -6.827345 0.384705 1.576881
C -7.874834 0.345478 -1.045989
C -8.213484 0.518304 1.365743
C -8.747337 0.499796 0.052978
H 0.315525 -0.390645 0.583216
H 1.156040 -0.180036 -2.362358
H -2.123422 0.686822 1.011882
H -1.516482 0.604579 -1.493203
H -0.045176 2.113906 0.350617
H 0.523542 2.031157 -1.345756
H 1.647828 1.684177 -0.002527
H -3.695833 0.855589 -0.979103
H -3.880915 -0.942255 -0.923052
H -1.159768 -1.564206 1.630794
H -2.226391 -2.353661 0.433107
H -2.930712 -1.527030 1.865370
H 3.360424 0.745059 -1.516109
H 1.828363 -3.097506 -0.226862
H -0.661568 -1.692860 -1.571458
H 4.061154 -3.637276 0.827039
H 6.684592 0.143290 -0.173822
H 6.292579 -2.798600 1.263441
H 6.740869 1.168653 2.672101
H 5.025834 0.531195 2.659131
H 5.361757 2.239132 3.217870
H -5.823372 0.089786 -1.718815
H -6.396865 0.398305 2.583013
H -8.275443 0.328756 -2.065888
H -8.879626 0.637830 2.227433
H -9.825415 0.604079 -0.107171


