%chk=000121840.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121840

0 1
 S   0.7092000      -2.388600      0.1318000    
 O   -2.847800      -3.283100      0.9521000    
 O   -2.536800      -3.640100      -1.265100    
 O   -4.222500     -6.1400000E-02  0.6584000    
 N   -2.036200     -0.8157000      0.9277000    
 C    4.353300       1.258500      0.3571000    
 C    4.729400      0.2036000     -0.6914000    
 C   0.5711000       2.248500       1.024500    
 C    1.981400       1.729300       1.207500    
 C    2.925600       1.717100      0.2462000    
 C    3.965500      -1.097100     -0.5611000    
 C   0.2794000       2.803000     -0.3754000    
 C    2.834800      -1.382300      -1.237400    
 C    2.311500       1.240300       2.594200    
 C    1.997100      -2.619600      -1.125100    
 C   -1.901100      -1.491400     -0.3385000    
 C    4.516700      -2.079900      0.4389000    
 C  -0.4644000      -1.441100     -0.8643000    
 C   -1.122300       3.328000     -0.5220000    
 C   -2.053600       2.942300      -1.414500    
 C   -2.448700      -2.908200     -0.2867000    
 C   -3.407800       3.598800      -1.437000    
 C   -1.871000       1.854100      -2.433600    
 C   -3.191000     -0.1558000       1.318500    
 C   -3.071800      0.4406000       2.695400    
 H    4.608300      0.8927000       1.355100    
 H    4.990800       2.137200      0.1942000    
 H    4.567600      0.6196000      -1.695100    
 H    5.805400     -2.7999999E-03 -0.6312000    
 H  -0.1296000       1.432700       1.237900    
 H   0.3889000       3.034100       1.769100    
 H    2.686100       2.098600     -0.7428000    
 H   0.9528000       3.645800     -0.5803000    
 H   0.4983000       2.040700      -1.126000    
 H    2.464300     -0.6368000      -1.940100    
 H    2.734300       2.052200       3.193900    
 H    2.997200      0.3889000       2.596700    
 H    1.403500      0.8891000       3.098100    
 H    1.550700      -2.858300      -2.096300    
 H    2.593400      -3.497300     -0.8612000    
 H   -2.546800     -0.9590000      -1.047700    
 H  -0.1165000     -0.4046000     -0.9021000    
 H  -0.4605000      -1.833900      -1.887000    
 H    4.744600      -1.567200       1.379900    
 H    3.846800      -2.901000      0.6989000    
 H    5.447800      -2.512100      5.7500001E-02
 H   -1.376200       4.130000      0.1700000    
 H   -1.267900     -0.8927000       1.588300    
 H   -3.592000       4.053600      -2.415900    
 H   -4.190900       2.858100      -1.244100    
 H   -3.502900       4.386300     -0.6820000    
 H   -2.654100       1.098100      -2.315900    
 H  -0.9136000       1.336600      -2.379000    
 H   -1.955700       2.273600      -3.441900    
 H   -3.236100     -0.3405000       3.442400    
 H   -3.822800       1.225700       2.819900    
 H   -2.082000      0.8819000       2.842900    
 H   -3.203800      -4.197100      0.9619000    


%chk=000121840-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121840

0 1
S 0.590812 -2.436627 0.542590
O -2.999797 -3.653229 0.949187
O -2.256711 -4.157553 -1.192500
O -3.907738 0.246113 -0.277299
N -2.325166 -1.057790 0.815139
C 4.511878 1.384715 0.002935
C 4.694399 0.167273 -0.973805
C 0.723786 2.199865 0.933723
C 2.157572 1.680007 1.032358
C 3.083519 1.887264 0.052176
C 4.091168 -1.131064 -0.451574
C 0.352090 3.033046 -0.319947
C 2.897734 -1.580570 -0.944838
C 2.421646 0.888967 2.303168
C 2.147677 -2.811025 -0.532471
C -2.020455 -1.843613 -0.377322
C 4.895289 -1.832710 0.627767
C -0.540961 -1.736310 -0.812650
C -1.077393 3.533868 -0.257821
C -2.116123 3.226794 -1.089553
C -2.418652 -3.324413 -0.276535
C -3.504688 3.799649 -0.850993
C -2.027548 2.295360 -2.285814
C -3.276622 -0.047115 0.786583
C -3.482213 0.706136 2.092111
H 4.881901 1.108375 1.007295
H 5.172250 2.198491 -0.359258
H 4.239214 0.432252 -1.947066
H 5.781595 0.028038 -1.147891
H 0.034420 1.329234 0.997022
H 0.506304 2.805822 1.840523
H 2.777088 2.458616 -0.835737
H 1.043745 3.899043 -0.385706
H 0.519930 2.427878 -1.230075
H 2.413850 -0.975976 -1.725899
H 2.095539 1.459300 3.195285
H 3.483529 0.626082 2.438664
H 1.842702 -0.056322 2.287517
H 1.760471 -3.377086 -1.397499
H 2.735712 -3.495924 0.097891
H -2.646194 -1.404356 -1.183054
H -0.283103 -0.681541 -0.997533
H -0.382778 -2.341100 -1.721261
H 5.099117 -1.145872 1.472064
H 4.395813 -2.723661 1.041155
H 5.881592 -2.146848 0.232832
H -1.285540 4.221554 0.578994
H -1.888804 -1.324475 1.698960
H -3.860858 4.364143 -1.736001
H -4.229123 2.979050 -0.679987
H -3.526659 4.479443 0.019574
H -2.739184 1.457204 -2.154707
H -1.017795 1.878954 -2.439900
H -2.319682 2.826499 -3.213662
H -4.561097 0.760639 2.312959
H -3.115295 1.739804 1.961048
H -2.959276 0.248924 2.949551
H -3.233484 -4.621224 0.947588


