%chk=000169686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169686

0 1
 S   -1.147500      0.8259000       1.052500    
 O   -2.188500      -2.431900      -1.725100    
 O   -5.411500       1.001000      -1.019300    
 O   -5.341700      -1.056900     -4.1299999E-02
 O    1.578300      -1.426700       1.870000    
 N   -2.691600      -1.031400      0.1068000    
 N   0.4396000      -1.511500     -0.1490000    
 N    3.949100      -1.447800      0.5227000    
 N    4.889100      -1.768500     -0.2221000    
 N    5.759600      -2.067000     -0.8961000    
 C   -1.685800     -0.9194000       1.167300    
 C   -2.838900       1.349800      0.4741000    
 C   -3.299600      0.1754000     -0.4159000    
 C  -0.8521000      -1.952000      0.3964000    
 C   -2.000800      -1.947900     -0.6319000    
 C   -3.709600       1.588000       1.715300    
 C   -2.710300       2.643500     -0.3320000    
 C   -4.776600     -5.5700000E-02 -0.4556000    
 C    1.562000      -1.283100      0.6488000    
 C    2.783900     -0.8520000     -0.1473000    
 C    2.870100      0.6542000     -0.2376000    
 C    2.255500       1.306400      -1.293900    
 C    3.562300       1.352800      0.7377000    
 C    2.335000       2.696700      -1.376800    
 C    3.642000       2.742900      0.6547000    
 C    3.028100       3.415200     -0.4024000    
 H   -2.061100      -1.238700       2.143700    
 H   -2.951000      0.2908000      -1.451200    
 H  -0.7601000      -2.918800      0.9059000    
 H   -3.265200       2.340900       2.377400    
 H   -4.701800       1.961000       1.438400    
 H   -3.857100      0.6732000       2.300300    
 H   -2.294000       3.455600      0.2758000    
 H   -2.061900       2.515600      -1.206700    
 H   -3.686200       2.981900     -0.6961000    
 H   0.5304000      -1.360900      -1.150900    
 H    2.705100      -1.272200      -1.160700    
 H   -6.382900      0.8690000      -1.053800    
 H    1.712200      0.7571000      -2.057200    
 H    4.036400      0.8559000       1.578600    
 H    1.856100       3.219900      -2.199300    
 H    4.178700       3.302800       1.415200    
 H    3.088900       4.497700     -0.4662000    


%chk=000169686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169686

0 1
S -1.735477 1.504858 -0.131267
O -2.183595 -2.692293 -0.919005
O -6.387016 -0.252343 -0.083137
O -5.358601 -0.719377 1.953294
O 1.978322 -1.841473 1.244492
N -2.824786 -0.844930 0.529235
N 0.436070 -0.843593 -0.191688
N 3.788223 -1.832809 -0.928805
N 4.883366 -1.602962 -1.523404
N 5.951447 -1.587675 -2.040906
C -1.706214 -0.005801 1.029164
C -3.683991 1.368417 -0.210524
C -3.992232 -0.196658 -0.065510
C -0.709398 -1.158856 0.623111
C -1.963736 -1.796727 -0.089766
C -4.258527 2.203376 0.954484
C -4.154462 1.895810 -1.577338
C -5.268943 -0.433212 0.746439
C 1.724411 -1.204786 0.187889
C 2.823401 -0.686461 -0.770990
C 3.460233 0.587965 -0.213597
C 3.394978 1.794083 -0.951798
C 4.123233 0.565670 1.040694
C 3.982130 2.974126 -0.441126
C 4.711714 1.743880 1.545860
C 4.641761 2.950576 0.808400
H -1.748287 0.305474 2.080699
H -4.154846 -0.624950 -1.072266
H -0.356145 -1.746053 1.488474
H -3.921168 3.248941 0.863824
H -5.365250 2.197943 0.926122
H -3.935708 1.821796 1.938246
H -3.931437 2.971995 -1.682790
H -3.668072 1.355628 -2.407955
H -5.248389 1.761727 -1.666944
H 0.279709 -0.327180 -1.060595
H 2.374899 -0.456921 -1.760950
H -7.220050 -0.400572 0.441889
H 2.893550 1.813217 -1.927989
H 4.160570 -0.369944 1.609610
H 3.929928 3.903826 -1.018098
H 5.224020 1.723703 2.513957
H 5.100967 3.863366 1.203763


