%chk=000001636.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001636

0 1
 S   -5.268100      -1.343400     -0.9917000    
 F    4.044200      -2.231900      -2.100400    
 F    5.798400     -0.9503000      -1.938900    
 F    3.967100     -0.1854000      -2.842500    
 O    4.281400      0.6311000     -7.7100001E-02
 O   0.2922000      -1.618000     -2.2100000E-02
 O   -2.469900      -1.417100       1.806800    
 O   -5.135100     -0.3914000      -2.079600    
 O   -4.624000      -2.641600      -1.069500    
 N    2.155200     -0.7184000       1.038600    
 N   -1.230100      0.4283000       1.053200    
 N   -4.806700     -0.5994000      0.4845000    
 N   -6.942600      -1.599900     -0.7000000    
 C    4.044100      -2.333000       1.265500    
 C    3.162800      -1.473800      0.3396000    
 C    3.197600      -3.355400       2.030700    
 C    4.877000      -1.509300       2.252800    
 C    3.980200     -0.4893000     -0.4895000    
 C  -2.7000001E-02  2.5699999E-02   1.719500    
 C   0.7925000     -0.8532000      0.7988000    
 C   -1.263000       1.617200      0.2848000    
 C   -2.403400     -0.3714000       1.162500    
 C    4.445400     -0.9619000      -1.838800    
 C   -3.602100      0.1248000      0.4370000    
 C  -6.9399998E-02   2.442900      0.1659000    
 C   -2.374800       2.024700     -0.3535000    
 C   -3.586800       1.252700     -0.2751000    
 C   0.1684000       3.461800       1.088600    
 C   0.8361000       2.215100     -0.8703000    
 C    1.311500       4.253000      0.9747000    
 C    1.979300       3.006200     -0.9840000    
 C    2.217000       4.025200     -6.1500002E-02
 C   -7.747400     -0.4644000     -0.2088000    
 H    4.750200      -2.890500      0.6355000    
 H    2.641000      -2.139600     -0.3567000    
 H    2.468900     -2.7899999E-02   1.714300    
 H    2.604000      -3.964100       1.340400    
 H    3.838600      -4.034100       2.603800    
 H    2.512900      -2.870500       2.734400    
 H    5.481700      -2.168300       2.885700    
 H    5.569400     -0.8405000       1.733000    
 H    4.245500     -0.9059000       2.912700    
 H  -0.2780000     -0.5877000       2.593500    
 H   0.5398000      0.8795000       2.099700    
 H   -2.406200       2.936500     -0.9423000    
 H   -4.458800       1.653800     -0.7794000    
 H   -4.824200      -1.254200       1.278800    
 H  -0.5269000       3.651400       1.902800    
 H   0.6668000       1.424000      -1.596900    
 H    1.497000       5.045900       1.693300    
 H    2.685200       2.827600      -1.790000    
 H    3.107600       4.640300     -0.1496000    
 H   -7.174900      -2.479200     -0.2188000    
 H   -8.805000     -0.6849000     -0.3793000    
 H   -7.593500     -0.3269000      0.8644000    
 H   -7.499300      0.4539000     -0.7471000    


%chk=000001636-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000001636

0 1
S -3.055637 -2.624136 0.538122
F 5.275364 -2.662580 -0.341269
F 4.836845 -4.131123 1.342026
F 6.367357 -2.480917 1.636091
O 4.068077 -1.469253 2.808838
O 2.608571 1.188413 -0.371415
O -0.428523 -0.144654 2.591196
O -3.027801 -1.985799 -0.958792
O -2.054181 -3.837940 0.964408
N 2.035940 -0.430368 1.216182
N -0.395471 1.624860 1.040247
N -3.071157 -0.861061 1.849784
N -4.741181 -3.301251 0.757619
C 2.050054 -2.761677 0.222732
C 2.874828 -1.479415 0.644314
C 1.060701 -2.387996 -0.903470
C 1.334941 -3.414616 1.428367
C 3.994326 -1.836811 1.620305
C 1.039246 1.815607 1.414789
C 1.968429 0.828027 0.662436
C -1.011757 2.371409 0.030516
C -1.040364 0.522388 1.682246
C 5.124904 -2.771086 1.063102
C -2.403431 0.192797 1.240040
C -0.352724 3.581668 -0.537664
C -2.290861 1.992874 -0.413804
C -2.982846 0.912479 0.173930
C -0.016277 4.688997 0.289205
C -0.127094 3.667417 -1.935705
C 0.542176 5.854714 -0.275124
C 0.439633 4.832658 -2.495524
C 0.776449 5.928431 -1.668509
C -5.843440 -2.369892 0.445211
H 2.779495 -3.486130 -0.190297
H 3.334814 -1.061085 -0.274389
H 1.436443 -0.627992 2.029588
H 1.586161 -1.978224 -1.785486
H 0.490876 -3.279687 -1.217518
H 0.327319 -1.636585 -0.560882
H 0.757191 -4.291338 1.090022
H 2.048360 -3.750146 2.203676
H 0.603909 -2.728790 1.893991
H 1.119631 1.671058 2.504387
H 1.356639 2.826469 1.135950
H -2.754280 2.590131 -1.201301
H -3.976491 0.624655 -0.179006
H -2.478293 -1.239325 2.625840
H -0.223045 4.650331 1.365535
H -0.367024 2.810945 -2.574906
H 0.788514 6.705006 0.369685
H 0.626277 4.880190 -3.573456
H 1.217473 6.831303 -2.104296
H -4.779518 -3.760467 1.682285
H -6.779488 -2.956415 0.462906
H -5.929053 -1.517372 1.148932
H -5.699206 -1.989898 -0.579290


