%chk=000105205.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105205

0 1
 S    4.805300      0.3511000     -1.3100000E-02
 O    4.922200       1.023300      -1.296700    
 O    4.832400       1.113800       1.224300    
 O    7.677700      0.9783000      7.0400000E-02
 N    8.477300      -1.173400      0.1819000    
 C   -1.805300     -0.5877000     -0.1564000    
 C  -0.5300000      0.2575000     -0.1036000    
 C   -3.055000      0.2939000     -8.3200000E-02
 C   0.7538000     -0.5773000     -8.2000002E-02
 C   -4.363200     -0.5021000     -0.1047000    
 C   -5.613100      0.3798000     -5.7200000E-02
 C    2.067600      0.2122000     -0.1104000    
 C   -6.886900     -0.4670000     -7.1999999E-03
 C    3.337000     -0.6246000     -3.0200001E-02
 C   -8.136000      0.4117000      7.8900002E-02
 C   -9.409800     -0.4329000      9.4899997E-02
 C    6.104800     -0.8602000      7.6800004E-02
 C   -10.65230      0.4351000      0.2144000    
 C    7.473600     -0.2315000      0.1030000    
 H   -1.820200      -1.176700      -1.081000    
 H   -1.810200      -1.296600      0.6802000    
 H  -0.5066000      0.9281000     -0.9713000    
 H  -0.5494000      0.8955000      0.7886000    
 H   -3.020700      0.8969000      0.8326000    
 H   -3.049800      0.9969000     -0.9254000    
 H   0.7444000      -1.209000      0.8153000    
 H   0.7445000      -1.261100     -0.9402000    
 H   -4.393100      -1.120900      -1.010100    
 H   -4.372300      -1.190800      0.7494000    
 H    2.058800      0.9272000      0.7221000    
 H    2.092800      0.8180000      -1.025000    
 H   -5.635000       1.033600     -0.9372000    
 H   -5.568400       1.027500      0.8267000    
 H   -6.941200      -1.099000     -0.9021000    
 H   -6.851000      -1.137100      0.8605000    
 H    3.400600      -1.298200     -0.8909000    
 H    3.336300      -1.226300      0.8844000    
 H   -8.163000       1.099000     -0.7756000    
 H   -8.089600       1.026200      0.9863000    
 H   -9.473000      -1.029000     -0.8229000    
 H   -9.380800      -1.134800      0.9365000    
 H    5.953500      -1.444300      0.9893000    
 H    6.017700      -1.508400     -0.8001000    
 H   -10.63550       1.019100       1.140200    
 H   -11.55140     -0.1891000      0.2230000    
 H   -10.72850       1.129100     -0.6287000    
 H    9.452500     -0.8953000      0.2115000    
 H    8.285600      -2.169700      0.2113000    


%chk=000105205-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105205

0 1
S 4.944521 0.194158 -0.078204
O 4.789299 1.517911 -1.020087
O 5.198078 0.365775 1.551242
O 8.806922 -0.934971 -0.955188
N 7.894182 -0.020849 1.000927
C -1.778467 -0.680951 -0.064565
C -0.451514 0.104050 0.037014
C -3.027831 0.220566 0.058318
C 0.795269 -0.789010 -0.159962
C -4.356438 -0.566980 0.006656
C -5.606947 0.338294 0.076729
C 2.113712 0.011711 -0.000857
C -6.935826 -0.450408 0.051512
C 3.328266 -0.879928 -0.250298
C -8.186991 0.455666 0.094290
C -9.515994 -0.333993 0.078370
C 6.415498 -0.924073 -0.773177
C -10.760340 0.579607 0.112115
C 7.819599 -0.597476 -0.235394
H -1.814059 -1.222103 -1.033334
H -1.807581 -1.457817 0.727853
H -0.443254 0.914045 -0.721095
H -0.394483 0.601885 1.026771
H -2.977552 0.791530 1.008956
H -3.016273 0.973532 -0.757179
H 0.771265 -1.620980 0.573462
H 0.756601 -1.251821 -1.167686
H -4.391713 -1.166570 -0.927212
H -4.383613 -1.295146 0.844276
H 2.169189 0.438884 1.018449
H 2.127254 0.857687 -0.714411
H -5.589164 1.052696 -0.772864
H -5.563917 0.953478 0.999937
H -6.971138 -1.079604 -0.862736
H -6.961851 -1.151879 0.911773
H 3.374501 -1.278072 -1.278797
H 3.472366 -1.672294 0.502468
H -8.165963 1.151890 -0.770323
H -8.150753 1.090746 1.004340
H -9.548543 -0.972646 -0.828127
H -9.538770 -1.025233 0.945677
H 6.125497 -1.955471 -0.508018
H 6.377303 -0.762099 -1.860290
H -10.766355 1.206971 1.023578
H -11.696779 -0.008070 0.100168
H -10.776085 1.258917 -0.761158
H 8.818267 0.194962 1.376149
H 7.027709 0.234283 1.517235


