%chk=000157337.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157337

0 1
 S   -2.574200     -7.8999996E-03  -1.143600    
 F   0.8852000     -0.7332000       1.625800    
 F   7.8199998E-02  -2.714500       1.249800    
 F    2.717400      -2.699700       1.249000    
 F    1.859400      -3.197100     -0.6867000    
 F    4.128900      -1.869300     -0.8605000    
 F    2.440700     -0.7633000      -1.668800    
 F    4.056600     -0.4117000       1.442800    
 F    2.325700      0.7045000      0.7341000    
 F    5.494800      0.3406000     -0.7148000    
 F    3.806100       1.451300      -1.520800    
 F    5.595400       3.035800     -0.2640000    
 F    3.706200       2.939300      0.8213000    
 F    5.440800       1.867900       1.574600    
 O   -2.942000      -1.121400      -2.000800    
 O   -1.966700       1.192500      -1.691300    
 O   -3.757600       1.461300      0.5295000    
 N   -4.039700      0.4910000     -0.3789000    
 N   -8.282900      0.5312000      0.6231000    
 C  -0.1893000      -1.104900     -0.4366000    
 C   0.7139000      -1.665500      0.6549000    
 C   -1.522300     -0.6322000      0.1291000    
 C    2.069600      -2.162200      0.1771000    
 C    3.008400      -1.176500     -0.5077000    
 C   -5.054500      0.9605000      -1.361900    
 C    3.429400      3.1900000E-02  0.3168000    
 C   -6.367500       1.324600     -0.6841000    
 C    4.366900       1.020300     -0.3610000    
 C   -7.034900      0.1233000     -1.3300000E-02
 C    4.789600       2.220900      0.4483000    
 C   -8.017000       1.184200       1.905700    
 C   -9.164600     -0.6216000      0.8127000    
 H  -0.3634000      -1.871200      -1.200700    
 H   0.2962000     -0.2539000     -0.9253000    
 H   -2.055900      -1.454100      0.6165000    
 H   -1.369200      0.1717000      0.8554000    
 H   -4.424900     -0.3554000      7.9099998E-02
 H   -4.623200       1.829800      -1.869600    
 H   -5.199900      0.1466000      -2.079000    
 H   -6.184000       2.128400      3.6200002E-02
 H   -7.044800       1.736400      -1.443300    
 H   -7.237400     -0.6134000     -0.8022000    
 H   -6.374800     -0.3686000      0.7100000    
 H   -7.436900       2.103700       1.784500    
 H   -7.484300      0.5279000       2.603800    
 H   -8.958800       1.485400       2.379300    
 H   -9.419000      -1.076600     -0.1511000    
 H   -10.11150     -0.3116000       1.269200    
 H   -8.709400      -1.389200       1.449200    


%chk=000157337-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157337

0 1
S -2.409361 -4.398281 1.434388
F 1.660017 -1.943646 1.604530
F 1.987517 -3.551724 0.015875
F 2.921494 -1.060651 -0.681258
F 1.265225 -1.899968 -2.010515
F 1.309155 0.824743 -1.780729
F -0.591401 -0.217326 -1.046889
F 2.109174 0.919660 1.108919
F -0.065035 0.336592 1.529369
F 1.453754 3.154201 -0.145831
F -0.697474 2.495263 -0.555860
F -0.181920 4.531885 1.459410
F -1.394576 2.719091 2.062730
F 0.767832 2.918580 2.744925
O -2.878186 -4.151305 -0.177468
O -2.907923 -2.971494 2.308437
O -3.280680 -1.082610 0.762716
N -3.570756 -1.671657 -0.447776
N -5.493196 2.478839 -0.833807
C -0.289819 -2.816066 0.432896
C 1.173254 -2.419652 0.341621
C -0.498805 -4.029208 1.340700
C 1.538813 -1.332233 -0.733037
C 0.767890 0.047374 -0.729375
C -3.918832 -0.961188 -1.498453
C 0.805774 0.924332 0.576024
C -4.048926 0.530245 -1.471452
C 0.366676 2.428570 0.376650
C -5.345549 1.011234 -0.743474
C -0.120342 3.153470 1.689247
C -4.529766 3.220493 0.007301
C -6.884674 2.919084 -0.599543
H -0.668413 -3.047496 -0.580113
H -0.863813 -1.955311 0.821166
H -0.039089 -4.949505 0.947706
H -0.214819 -3.852692 2.389691
H -3.379035 -2.765196 -0.461486
H -3.085952 -2.044970 1.607291
H -4.110594 -1.543661 -2.406333
H -3.170869 0.947388 -0.943897
H -4.065031 0.926970 -2.499953
H -6.221719 0.551055 -1.237218
H -5.319152 0.644616 0.310491
H -3.492832 2.981849 -0.284869
H -4.639518 2.999599 1.098592
H -4.675340 4.304908 -0.142296
H -7.562104 2.413319 -1.310655
H -6.960878 4.007337 -0.773769
H -7.251396 2.711144 0.437181


