%chk=000049089.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049089

0 1
 S    2.329500      -2.625000      0.2149000    
 O   0.2919000      0.7185000       1.387100    
 O    1.605100     -0.6590000       2.682200    
 N   -2.409400       1.019000      0.5893000    
 C   -3.262200     -0.1527000      0.7966000    
 C   -3.137500       2.065200     -0.1189000    
 C   -1.910100       1.516700       1.872400    
 C   -3.325700     -0.9946000     -0.4767000    
 C   -2.161400       3.048700     -0.7622000    
 C   -4.195100      -2.236300     -0.2753000    
 C   -1.232000       2.339800      -1.748000    
 C  -0.7442000      0.6710000       2.359200    
 C   -4.292300      -3.061300      -1.548700    
 C  -0.2807000       3.317700      -2.419100    
 C    1.415900      6.0000001E-03   1.675500    
 C    2.417100      0.1386000      0.5870000    
 C    2.892200     -0.9613000     -0.1273000    
 C    2.882900       1.418800      0.2875000    
 C    3.833100     -0.7807000      -1.141200    
 C    3.823800       1.599300     -0.7263000    
 C    4.299000      0.4995000      -1.440500    
 C   0.9037000      -2.761000     -0.8976000    
 C   0.2564000      -4.126900     -0.7698000    
 H   -4.269600      0.1411000       1.120600    
 H   -2.868900     -0.8023000       1.586300    
 H   -3.760200       1.659500     -0.9239000    
 H   -3.823400       2.600900      0.5508000    
 H   -2.704000       1.548500       2.629500    
 H   -1.530000       2.539400       1.779400    
 H   -2.313200      -1.304500     -0.7652000    
 H   -3.732000     -0.4193000      -1.315400    
 H   -1.573900       3.595000     -1.7200001E-02
 H   -2.743400       3.807300      -1.301100    
 H   -5.203300      -1.938800      3.5999998E-02
 H   -3.777500      -2.858000      0.5252000    
 H   -1.823000       1.830000      -2.518100    
 H  -0.6320000       1.575800      -1.241600    
 H  -0.3692000       1.093200       3.299500    
 H   -1.032300     -0.3684000       2.547100    
 H   -4.740300      -2.479500      -2.360500    
 H   -4.915000      -3.945500      -1.380900    
 H   -3.302800      -3.399100      -1.873100    
 H  -0.8317000       4.083200      -2.974600    
 H   0.3710000       2.790200      -3.122700    
 H   0.3530000       3.817700      -1.679500    
 H    2.525000       2.286200      0.8366000    
 H    4.216700      -1.623800      -1.710900    
 H    4.186700       2.596100     -0.9593000    
 H    5.031500      0.6402000      -2.230000    
 H    1.233100      -2.602400      -1.929500    
 H   0.1764000      -1.981700     -0.6489000    
 H   0.9529000      -4.929000      -1.036200    
 H  -0.1085000      -4.304800      0.2476000    
 H  -0.6028000      -4.196300      -1.445400    


%chk=000049089-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049089

0 1
S 2.245404 -2.542026 -0.638167
O 0.451050 1.088821 1.897040
O 0.311432 -1.178676 1.380648
N -2.417606 1.099438 0.780007
C -3.319838 -0.048371 1.056250
C -2.959718 2.068334 -0.210805
C -1.924416 1.754599 2.010076
C -3.353562 -1.092274 -0.079533
C -1.856598 2.792470 -1.016808
C -4.229772 -2.316487 0.270189
C -1.066185 1.847985 -1.949258
C -0.789487 0.986416 2.704138
C -4.261140 -3.367964 -0.860286
C 0.110441 2.551404 -2.657935
C 0.883948 -0.072616 1.229817
C 2.107564 0.201165 0.414001
C 2.765883 -0.798268 -0.373648
C 2.686580 1.503548 0.487168
C 3.997438 -0.474088 -1.004764
C 3.900120 1.810992 -0.151366
C 4.570373 0.807562 -0.889938
C 0.452879 -2.432737 -1.278760
C 0.173859 -3.669368 -2.143926
H -4.363243 0.296052 1.280898
H -2.954875 -0.556014 1.969291
H -3.598943 1.509310 -0.919024
H -3.622132 2.823344 0.283896
H -2.738175 1.909584 2.766978
H -1.543036 2.758178 1.749664
H -2.313951 -1.415621 -0.277141
H -3.729801 -0.633919 -1.016414
H -1.148851 3.290469 -0.322765
H -2.328718 3.600802 -1.613666
H -5.263906 -1.981079 0.492730
H -3.846240 -2.785403 1.199113
H -1.758273 1.421769 -2.705353
H -0.694634 0.998638 -1.345021
H -0.546947 1.455505 3.673971
H -1.030076 -0.080492 2.851532
H -4.662678 -2.933649 -1.795521
H -4.892383 -4.234795 -0.591314
H -3.243245 -3.745849 -1.075481
H -0.238638 3.416495 -3.254184
H 0.641754 1.862568 -3.340476
H 0.846805 2.923648 -1.920779
H 2.165854 2.259246 1.079225
H 4.488698 -1.243215 -1.609281
H 4.322260 2.818241 -0.071592
H 5.519800 1.025138 -1.391524
H 0.371611 -1.498309 -1.859585
H -0.198456 -2.374579 -0.395974
H 0.829058 -3.703037 -3.031876
H 0.319714 -4.603252 -1.571077
H -0.877698 -3.648736 -2.488688


