%chk=000149571.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149571

0 1
 S   -5.999300       1.523800       1.382700    
 O   -2.704000      -1.200300      -2.761800    
 O    5.211400       1.001000       1.487100    
 O   -7.227600       1.467000       2.153200    
 O   -4.863800       2.287000       1.861400    
 N  -0.3990000     -0.9075000      -1.173600    
 N    3.420700     -0.6603000      0.5340000    
 N   -5.534200     -8.5000001E-02  0.9803000    
 N    5.763600       2.667300     -2.7899999E-02
 C   0.8963000     -0.8236000     -0.5947000    
 C    1.588300      0.3916000     -0.6170000    
 C    1.467800      -1.957000     -7.7000000E-03
 C    2.865700      0.4284000     -3.2800000E-02
 C    2.749900      -1.828300      0.5527000    
 C    3.559700       1.635300     -5.1700000E-02
 C   -1.681800     -0.7045000     -0.6479000    
 C    1.038200       1.546300      -1.200400    
 C   0.7952000      -3.190900      2.8600000E-02
 C    3.324200      -2.953200       1.138700    
 C    3.016000       2.784800     -0.6304000    
 C   -2.821100     -0.8539000      -1.448500    
 C    1.752700       2.740600      -1.206100    
 C   -1.833200     -0.3475000      0.6974000    
 C   -4.233600     -0.2934000      0.4298000    
 C    1.391400      -4.300400      0.6203000    
 C   -4.092100     -0.6491000     -0.9117000    
 C    2.658600      -4.180900       1.176400    
 C   -3.104100     -0.1427000       1.234200    
 C    4.889900       1.735500      0.5394000    
 C   -6.429800       2.139100     -0.2300000    
 C   -2.585700     -0.1365000      -3.703700    
 C    7.119800       2.867200      0.4297000    
 H  -0.3770000      -1.198200      -2.146500    
 H   5.4000001E-02   1.546200      -1.661400    
 H  -0.1947000      -3.320600     -0.4011000    
 H    4.316400      -2.884900       1.581300    
 H    3.528800       3.742200     -0.6218000    
 H    1.322000       3.632500      -1.650900    
 H  -0.9726000     -0.2253000       1.350200    
 H   0.8704000      -5.252500      0.6460000    
 H   -4.970400     -0.7673000      -1.542200    
 H    3.133000      -5.040600       1.640500    
 H   -3.198600      0.1210000       2.284300    
 H   -6.269500     -0.6546000      0.5403000    
 H    5.492800       3.177800     -0.8617000    
 H   -7.203800       1.500600     -0.6598000    
 H   -6.814400       3.154500     -0.1097000    
 H   -5.538800       2.157300     -0.8597000    
 H   -1.707000      0.4795000      -3.488300    
 H   -3.488300      0.4827000      -3.695400    
 H   -2.470400     -0.5725000      -4.699800    
 H    7.402700       3.904000      0.2343000    
 H    7.773800       2.194100     -0.1302000    
 H    7.199300       2.650900       1.497900    


%chk=000149571-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149571

0 1
S -6.029862 2.273365 1.052278
O -2.561404 -1.731061 -2.395783
O 4.920809 3.771671 1.006193
O -7.655791 2.292268 1.146384
O -5.098338 3.033210 2.143395
N -0.417289 -0.962181 -1.104423
N 3.626827 -0.212420 0.076790
N -5.487548 0.302495 1.093081
N 5.507378 1.510847 0.905351
C 0.901126 -0.678590 -0.684858
C 1.365944 0.657669 -0.448815
C 1.817939 -1.775602 -0.573195
C 2.755567 0.843510 -0.025195
C 3.194179 -1.478722 -0.209724
C 3.232290 2.190160 0.256636
C -1.639939 -0.568690 -0.537448
C 0.546194 1.813759 -0.681204
C 1.438815 -3.148442 -0.773350
C 4.141594 -2.556557 -0.122900
C 2.368544 3.270013 0.055975
C -2.826700 -0.988233 -1.229438
C 1.039512 3.090956 -0.434291
C -1.785910 0.129908 0.690374
C -4.234537 0.021059 0.505215
C 2.380976 -4.170706 -0.676372
C -4.101935 -0.670681 -0.741377
C 3.748693 -3.870520 -0.360846
C -3.059787 0.414343 1.209316
C 4.626447 2.553767 0.755164
C -5.521330 2.993944 -0.670281
C -3.701777 -2.249075 -3.156267
C 6.876199 1.715590 1.377721
H -0.525469 -1.664063 -1.844451
H -0.468024 1.685001 -1.066850
H 0.391987 -3.401593 -0.973978
H 5.173618 -2.303898 0.139439
H 2.765486 4.266764 0.277027
H 0.409865 3.967434 -0.618715
H -0.895773 0.424553 1.252298
H 2.076848 -5.212222 -0.824928
H -5.001845 -0.972484 -1.288564
H 4.478488 -4.684283 -0.291463
H -3.173301 0.925083 2.169618
H -6.294159 -0.124911 0.595078
H 5.126613 0.572058 0.652934
H -6.156444 2.503146 -1.420068
H -5.723431 4.071173 -0.590330
H -4.452110 2.778505 -0.798691
H -4.324897 -1.421497 -3.545069
H -4.318561 -2.925589 -2.534603
H -3.262896 -2.807724 -3.995278
H 7.612706 1.369565 0.627678
H 7.057986 1.171132 2.324071
H 7.024228 2.793496 1.553038


