%chk=000149249.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149249

0 1
 S    5.757600     -0.2483000     -0.7890000    
 O    1.618000      0.7032000       2.756400    
 O    7.062900      0.2578000      -1.170600    
 O    5.565500     -0.8996000      0.4916000    
 N  -0.5796000      0.2599000       1.055100    
 N   -4.260700     -0.4067000     -0.8050000    
 N    4.598700       1.004100      -1.022700    
 N   -4.664400       1.864200     -0.9324000    
 C   -1.829800      2.4900001E-02  0.4229000    
 C   -2.246600      -1.282900      0.1722000    
 C   -2.637900       1.106100      5.4800000E-02
 C   0.7136000      0.4471000      0.5484000    
 C   -3.489600      -1.455500     -0.4541000    
 C   -3.866700      0.8519000     -0.5672000    
 C    1.798800      0.6662000       1.405800    
 C   -1.463500      -2.395500      0.5269000    
 C    3.286800      0.8169000     -0.4917000    
 C   0.9293000      0.4148000     -0.8344000    
 C    3.080700      0.8505000      0.8876000    
 C   -2.250200       2.433100      0.2915000    
 C    2.211000      0.5990000      -1.352500    
 C   -3.917300      -2.755800     -0.7101000    
 C   -1.913500      -3.685000      0.2601000    
 C   -3.143300      -3.865100     -0.3599000    
 C   -3.079300       3.474200     -8.8500001E-02
 C   -4.269600       3.137000     -0.6938000    
 C    5.252900      -1.384900      -2.060800    
 C    1.736400     -0.5317000       3.459300    
 H  -0.6572000      0.3343000       2.065100    
 H  -0.4992000      -2.288300       1.016700    
 H   0.1117000      0.2465000      -1.530500    
 H    3.911600       1.033000       1.564900    
 H   -1.309700       2.683400      0.7747000    
 H    2.360400      0.5694000      -2.428800    
 H   -4.877500      -2.923100      -1.194900    
 H   -1.308500      -4.543400      0.5353000    
 H    4.613200       1.444100      -1.952700    
 H   -3.504500      -4.866900     -0.5727000    
 H   -2.804300       4.507500      8.3899997E-02
 H   -4.967300       3.902600      -1.016800    
 H    4.253200      -1.759300      -1.835100    
 H    5.962200      -2.215600      -2.068600    
 H    5.274400     -0.8732000      -3.024700    
 H    1.009400      -1.262000       3.090500    
 H    1.536000     -0.3438000       4.517700    
 H    2.750900     -0.9310000       3.361000    


%chk=000149249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149249

0 1
S 5.881351 -0.937780 -0.548505
O 1.433308 0.980878 2.429114
O 7.299970 -0.813320 -1.335737
O 5.794369 -0.826295 1.076191
N -0.597977 0.417988 0.871642
N -4.516555 -0.384281 -0.733975
N 4.638065 0.575122 -1.265813
N -5.318093 1.650702 0.093115
C -1.863849 0.127103 0.307855
C -2.153402 -1.114213 -0.341948
C -2.912083 1.091638 0.453103
C 0.662554 0.382776 0.260517
C -3.501407 -1.294745 -0.878752
C -4.243975 0.770421 -0.060761
C 1.787628 0.705441 1.097410
C -1.222982 -2.207319 -0.436470
C 3.313818 0.466046 -0.798513
C 0.896789 0.116825 -1.114350
C 3.085123 0.761420 0.582527
C -2.717405 2.386465 1.047105
C 2.205154 0.119713 -1.628643
C -3.816050 -2.519339 -1.568536
C -1.575053 -3.387230 -1.086359
C -2.876469 -3.538663 -1.677681
C -3.798017 3.253197 1.171614
C -5.086275 2.825374 0.695338
C 5.116082 -2.660720 -0.994410
C 2.519013 1.305414 3.365938
H -0.579401 0.823987 1.813532
H -0.234312 -2.111307 0.020950
H 0.052012 -0.097856 -1.774001
H 3.947319 1.023097 1.199650
H -1.718651 2.696130 1.373832
H 2.370516 -0.107483 -2.688874
H -4.827412 -2.608955 -1.975738
H -0.859079 -4.214564 -1.140293
H 4.723439 0.442431 -2.294681
H -3.129978 -4.469702 -2.195979
H -3.685001 4.248983 1.610746
H -5.954931 3.486519 0.806585
H 4.072362 -2.639458 -0.651749
H 5.721984 -3.391263 -0.440523
H 5.212695 -2.775247 -2.082686
H 3.252387 0.479875 3.412695
H 2.029989 1.434916 4.341986
H 3.027429 2.241380 3.068429


