%chk=000122609.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122609

0 1
 S    10.16280       1.449600      0.7719000    
 S   -10.45130      0.9145000      0.2988000    
 O    3.574300       1.657700     -0.9849000    
 O   -4.080200       1.075100      -1.972100    
 O    2.945200      -3.953100     -0.3968000    
 O    10.96270       1.338300     -0.6497000    
 O   0.9858000      -3.043800      -1.147500    
 O    10.10850       2.862300       1.118700    
 O    10.74030      0.4819000       1.691700    
 O   -11.03520      0.1276000      -1.010100    
 O   -1.432000      -2.457500       1.294500    
 O   -10.68180       2.338200      0.1095000    
 O   -10.97020      0.2282000       1.473000    
 O  -0.9485000     -0.5487000       2.457500    
 N    4.652900     -0.3586000     -0.3998000    
 N    4.186900      -1.648500     -0.3159000    
 N   -4.591100      7.7100001E-02  0.1312000    
 N   -3.883100     -0.5578000       1.150800    
 C    2.404800     -0.4586000      -1.006600    
 C    5.938600      6.3400000E-02 -0.1263000    
 C    3.588500      0.4494000     -0.8126000    
 C    2.876700      -1.673900     -0.7023000    
 C   -2.435700      6.9899999E-02 -0.5149000    
 C    6.904000     -0.8585000      0.2785000    
 C    6.272400       1.411700     -0.2547000    
 C    1.123700     -2.2700001E-02  -1.452700    
 C   -5.963100      0.2730000      0.1703000    
 C    8.536700      0.9160000      0.4262000    
 C   -3.784200      0.5008000     -0.9418000    
 C    8.203100     -0.4322000      0.5547000    
 C    7.571400       1.838000      2.1600001E-02
 C   -2.635200     -0.5645000      0.7826000    
 C   -1.307300      0.2458000      -1.211600    
 C  -1.2100000E-02 -0.1997000     -0.7516000    
 C   -6.528600       1.376100     -0.4695000    
 C   -6.777800     -0.6327000      0.8495000    
 C   -8.723600      0.6676000      0.2493000    
 C    2.147300      -2.932300     -0.7835000    
 C   -7.908900       1.573400     -0.4300000    
 C   -8.158200     -0.4355000      0.8890000    
 C   -1.578700      -1.156900       1.615700    
 H    4.789000      -2.449600     -0.4510000    
 H    6.682000      -1.915400      0.3928000    
 H    5.594000       2.192400     -0.5649000    
 H    1.106400      0.5191000      -2.395100    
 H    8.939700      -1.169300      0.8617000    
 H    7.812200       2.891400     -9.2100002E-02
 H   -1.346700      0.7461000      -2.176000    
 H   0.1033000     -0.7108000      0.1871000    
 H   -5.932400       2.130800     -0.9720000    
 H   -6.360600      -1.503800       1.348000    
 H   -8.326600       2.440600     -0.9337000    
 H   -8.774100      -1.158200       1.416600    
 H    2.483400      -4.817500     -0.4396000    
 H    11.90950       1.612000     -0.6217000    
 H   -12.01360      0.1700000      -1.124000    
 H  -0.7314000      -2.892100       1.826000    


%chk=000122609-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122609

0 1
S 10.558290 1.866654 -0.262323
S -10.676557 1.533588 -0.093458
O 3.528001 1.803663 -0.639816
O -3.609510 1.753940 -0.425397
O 3.750132 -3.882637 0.577022
O 10.985091 1.054370 -1.877640
O 1.471945 -3.368044 0.589589
O 10.587887 3.470401 -0.464548
O 11.410783 1.159277 0.916342
O -10.937799 1.173960 -1.900780
O -1.387229 -3.155764 0.625514
O -10.792875 3.132374 0.129358
O -11.593851 0.514683 0.766533
O -3.486394 -4.064959 1.034098
N 4.842478 -0.144153 -0.146256
N 4.535869 -1.455383 0.216608
N -4.880328 -0.223968 0.110515
N -4.606785 -1.554304 0.425174
C 2.525472 -0.403044 -0.068292
C 6.178556 0.333598 -0.152463
C 3.603848 0.584450 -0.332662
C 3.159775 -1.634165 0.221907
C -2.577026 -0.462489 0.082509
C 7.209087 -0.424670 0.468697
C 6.468592 1.573870 -0.785976
C 1.163908 0.048396 -0.149365
C -6.238979 0.203765 0.054150
C 8.795266 1.251525 -0.222833
C -3.679180 0.531724 -0.121860
C 8.538772 0.033994 0.425597
C 7.797027 2.036806 -0.821079
C -3.264121 -1.711411 0.412782
C -1.271290 0.002861 -0.071162
C -0.010925 -0.664823 0.063248
C -6.552795 1.555544 -0.252200
C -7.264460 -0.743878 0.317463
C -8.891745 0.996601 -0.045427
C 2.659039 -2.992569 0.477627
C -7.902130 1.956533 -0.305728
C -8.611757 -0.345064 0.263627
C -2.780999 -3.081736 0.724460
H 5.211529 -2.215502 0.117684
H 6.987073 -1.343031 1.020937
H 5.660253 2.158465 -1.228962
H 1.090111 1.113981 -0.418863
H 9.348601 -0.522695 0.906889
H 8.045723 2.990950 -1.295450
H -1.233572 1.073680 -0.339045
H 0.003382 -1.722308 0.327709
H -5.752429 2.271656 -0.446885
H -6.993038 -1.774123 0.556038
H -8.173073 2.992775 -0.529137
H -9.420959 -1.051753 0.470552
H 3.425621 -4.804982 0.750874
H 11.925906 1.309019 -2.108684
H -11.883306 1.420234 -2.121258
H -1.061008 -4.070080 0.836248


