%chk=000090738.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090738

0 1
 S   0.5728000     -0.7885000     -0.5602000    
 O   -3.951300      -2.046100     -0.7105000    
 O    3.145300      0.2500000       2.019800    
 O    3.429300      -3.277500     -0.9290000    
 O   -3.601100       2.558600     -0.2601000    
 N    2.893700      -1.573700      0.5816000    
 N   -2.126100      0.8801000     -0.8302000    
 N   -4.231800      0.2747000     -0.3501000    
 N    5.026600      -1.845800     -9.6000005E-03
 C   -2.112400     -0.5373000      -1.036800    
 C    5.070100     -0.7425000      0.9200000    
 C   -1.125800      -1.240000     -0.1264000    
 C   -3.551600     -0.8881000     -0.6937000    
 C    3.594500     -0.6008000       1.262600    
 C    1.460100      -1.766800      0.6756000    
 C    5.624700      0.4865000      0.2978000    
 C    3.734600      -2.341100     -0.2020000    
 C   -3.372300       1.368400     -0.4359000    
 C   -5.609800      0.3416000      3.0900000E-02
 C    6.971100      0.8191000      0.4750000    
 C    4.804300       1.319300     -0.4691000    
 C   -6.525500     -0.5820000     -0.4801000    
 C   -6.046800       1.331200      0.9155000    
 C    7.492100       1.973500     -0.1093000    
 C    5.325300       2.473700      -1.053400    
 C    6.669300       2.800900     -0.8737000    
 C   -7.868500     -0.5166000     -0.1092000    
 C   -7.389900       1.396500       1.286400    
 C   -8.300800      0.4726000      0.7741000    
 H   -1.940300     -0.7387000      -2.099500    
 H    5.615400      -1.057100       1.815700    
 H   -1.235300      -2.325700     -0.2216000    
 H   -1.307700     -0.9767000      0.9220000    
 H    1.130700      -1.464300       1.674300    
 H    1.236600      -2.826500      0.5197000    
 H   -1.327400       1.481700      -1.006000    
 H    5.847300      -2.241600     -0.4577000    
 H    7.623700      0.1825000       1.066900    
 H    3.758100       1.088400     -0.6487000    
 H   -6.233100      -1.345900      -1.193900    
 H   -5.362200       2.047900       1.358500    
 H    8.538700       2.227900      3.0099999E-02
 H    4.686000       3.115800      -1.652400    
 H    7.075300       3.699100      -1.329700    
 H   -8.579400      -1.231400     -0.5133000    
 H   -7.725800       2.162400       1.979400    
 H   -9.346600      0.5236000       1.062900    


%chk=000090738-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090738

0 1
S 0.798749 -2.475173 -1.405082
O -3.605843 -0.761344 -2.143260
O 1.619067 0.230192 0.993624
O 4.075032 -3.770808 0.624444
O -2.271000 1.042975 2.036474
N 2.531828 -1.937123 0.731652
N -1.102407 -0.055824 0.296208
N -3.350057 0.220775 0.028691
N 4.727738 -1.513953 1.030931
C -1.387522 -0.604983 -1.029114
C 4.086327 -0.194070 1.148110
C -1.047019 -2.099299 -1.210747
C -2.914582 -0.398444 -1.157865
C 2.590406 -0.564187 0.952399
C 1.335622 -2.700011 0.421042
C 4.574728 0.847023 0.140738
C 3.848871 -2.551349 0.778695
C -2.214251 0.467661 0.925317
C -4.711204 0.579666 0.336142
C 4.726190 2.194157 0.544794
C 4.840079 0.483631 -1.202980
C -5.613866 0.883765 -0.715645
C -5.150590 0.620233 1.684337
C 5.141242 3.173154 -0.385577
C 5.258348 1.461670 -2.130554
C 5.409547 2.808540 -1.724678
C -6.948921 1.223914 -0.411954
C -6.486978 0.970856 1.970240
C -7.393824 1.271908 0.928713
H -0.882174 -0.023352 -1.825271
H 4.192383 0.214668 2.172531
H -1.504915 -2.458874 -2.147761
H -1.442413 -2.700578 -0.374677
H 0.496392 -2.374657 1.054647
H 1.569931 -3.763702 0.574307
H -0.142001 0.120065 0.638788
H 5.732016 -1.667050 1.098226
H 4.512646 2.480672 1.581649
H 4.725553 -0.558755 -1.522715
H -5.281083 0.835922 -1.754190
H -4.450716 0.406861 2.494288
H 5.255669 4.214571 -0.066453
H 5.462755 1.176070 -3.168149
H 5.733477 3.566481 -2.446149
H -7.640641 1.453697 -1.229824
H -6.817601 1.005913 3.014111
H -8.430889 1.539796 1.158250


