%chk=000057797.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057797

0 1
 S   -2.129500      -1.101500      -2.161500    
 O  -0.1222000      -2.404400     -0.8954000    
 O    4.755700     -0.9648000       1.094100    
 O  -0.3640000       1.913300     -0.5928000    
 O   0.5837000       1.620900      -2.670100    
 N    3.734000       1.500100       1.092600    
 C    1.458700     -0.8372000     -0.5108000    
 C    2.703200     -0.4077000     -1.7600000E-02
 C    3.161000       1.012800     -0.1340000    
 C    1.110200      -2.175500     -0.3607000    
 C   0.3646000     -0.2260000      -1.178300    
 C    3.539800      -1.345000      0.6037000    
 C  -0.5650000      -1.218200      -1.387900    
 C    1.920400      -3.130100      0.2516000    
 C    3.153200      -2.681300      0.7344000    
 C   0.2240000       1.148300      -1.572100    
 C    2.761500       1.447200       2.195000    
 C    4.231000       2.876100      0.9413000    
 C   -3.115800     -0.7154000     -0.7186000    
 C   -3.158000      -1.608400      0.3470000    
 C   -3.833500      0.4752000     -0.6723000    
 C  -0.5604000       3.304500     -0.8677000    
 C   -4.648500     -0.1154000       1.524000    
 C   -3.926600      -1.307600       1.471400    
 C   -4.602000      0.7761000      0.4522000    
 C   -1.205700       3.957600      0.3060000    
 C   -5.469900      0.2064000       2.726400    
 H    3.911200       1.039600     -0.9358000    
 H    2.355300       1.677000     -0.4504000    
 H    1.613200      -4.164400      0.3494000    
 H    3.812600      -3.398200       1.218900    
 H    2.459300      0.4269000       2.449700    
 H    1.859600       2.030000       1.972000    
 H    3.207900       1.855900       3.109400    
 H    4.986000       2.924300      0.1488000    
 H    4.720300       3.211200       1.862500    
 H    3.427100       3.580300      0.6978000    
 H    5.195700      -1.736600       1.489800    
 H   -2.614100      -2.549000      0.3257000    
 H   -3.806100       1.182400      -1.497400    
 H   0.4106000       3.770100      -1.069900    
 H   -1.197900       3.408100      -1.752800    
 H   -3.955400      -2.010400       2.300000    
 H   -5.157500       1.709700      0.4827000    
 H   -1.369100       5.024000      0.1261000    
 H   -2.170200       3.490000      0.5312000    
 H  -0.5871000       3.845800       1.203000    
 H   -4.868700      0.7592000       3.454900    
 H   -6.341800      0.8129000       2.458500    
 H   -5.847900     -0.7048000       3.202400    


%chk=000057797-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057797

0 1
S -2.071906 -0.652656 -1.929586
O -0.043518 -2.225068 -1.019598
O 5.228691 -1.459540 0.562239
O -0.635605 1.981487 -0.750490
O 1.457594 2.157432 -1.755746
N 3.670508 1.293218 1.424234
C 1.777425 -0.824528 -0.575768
C 3.111606 -0.563354 -0.142030
C 3.739003 0.813171 0.010841
C 1.306115 -2.173587 -0.607015
C 0.627012 -0.009504 -0.992979
C 3.894171 -1.704406 0.184946
C -0.432440 -0.881915 -1.238662
C 2.070912 -3.292734 -0.267343
C 3.398025 -3.037655 0.126755
C 0.564781 1.455486 -1.216771
C 2.325729 1.737933 1.831098
C 4.710593 2.295367 1.721440
C -3.109691 -0.373399 -0.415364
C -2.709783 -0.771978 0.876626
C -4.370839 0.230529 -0.616051
C -0.862934 3.437701 -1.010753
C -4.847161 0.054978 1.799419
C -3.575307 -0.550455 1.969893
C -5.229926 0.433467 0.487046
C -2.193314 3.791676 -0.355042
C -5.759757 0.309946 2.986667
H 4.809734 0.723979 -0.240145
H 3.280707 1.532915 -0.699640
H 1.660011 -4.303958 -0.310954
H 4.054411 -3.875603 0.393352
H 1.594534 0.925209 1.678218
H 1.965820 2.639279 1.269553
H 2.331324 1.987371 2.907961
H 5.706015 1.868730 1.505415
H 4.675327 2.555813 2.795379
H 4.602464 3.244723 1.135932
H 5.686081 -2.304030 0.797256
H -1.739815 -1.254230 1.034962
H -4.685510 0.539700 -1.619340
H -0.012457 4.002883 -0.588209
H -0.871291 3.592926 -2.105073
H -3.256636 -0.862827 2.971945
H -6.209970 0.897253 0.321185
H -2.427122 4.857215 -0.533920
H -3.010432 3.176656 -0.768432
H -2.152713 3.619899 0.734040
H -5.549113 1.294493 3.448313
H -6.822930 0.308556 2.688322
H -5.625524 -0.454561 3.772274


