%chk=000226630.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226630

0 1
 S   -1.014800       3.291300     -0.2909000    
 O    4.030100     -0.3866000       1.417800    
 O   -1.508800       4.267700      0.6606000    
 O   -1.077400       3.557500      -1.715300    
 O   -3.818300      -2.911000      -1.309000    
 N   0.5799000       2.859000      0.1223000    
 N   -3.926500      -1.769700      0.7510000    
 N    1.172300       1.783900     -0.6543000    
 C   -1.883100       1.782500      1.9900000E-02
 C   -2.414600       1.556200       1.277400    
 C   -2.014300      0.8568000      -1.000300    
 C   -3.241700     -0.5788000      0.5060000    
 C   -3.099400      0.3660000       1.522300    
 C   -2.699200     -0.3333000     -0.7553000    
 C    2.776700     -2.5699999E-02 -0.5955000    
 C    3.732800     -0.7329000      0.1336000    
 C    2.069700       1.102100     -4.8000002E-03
 C    2.488000     -0.3951000      -1.909300    
 C    4.399800      -1.809500     -0.4510000    
 C    3.155200      -1.471800      -2.493800    
 C    4.111100      -2.178800      -1.764700    
 C    3.814500      -1.376000       2.421800    
 C   -4.168200      -2.826800     -0.1362000    
 C    3.484900     -0.6882000       3.729300    
 C   -4.948800      -3.938700      0.5184000    
 H   -2.307600       2.275200       2.083700    
 H   -1.593300       1.028100      -1.986300    
 H   -3.515500      0.1868000       2.510600    
 H   -2.766900      -1.016400      -1.590400    
 H   0.9094000       3.000200       1.085000    
 H   -4.292400      -1.873600       1.695300    
 H    2.317000       1.368900       1.038000    
 H    1.748400      0.1349000      -2.503500    
 H    5.153400      -2.364600      0.1008000    
 H    2.930800      -1.759500      -3.516900    
 H    4.631900      -3.015700      -2.220700    
 H    4.726000      -1.972800       2.535200    
 H    2.987100      -2.042000       2.146600    
 H    2.583200     -7.5400002E-02   3.625200    
 H    4.295200     -1.4000000E-02   4.025700    
 H    3.324600      -1.419400       4.526500    
 H   -4.374400      -4.351800       1.352400    
 H   -5.142800      -4.732900     -0.2078000    
 H   -5.904100      -3.554600      0.8870000    


%chk=000226630-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000226630

0 1
S -1.119217 2.720722 0.373346
O 4.768746 -0.077867 1.619217
O -1.639991 3.858342 1.415034
O -0.571435 3.097422 -1.111894
O -4.924422 -2.620400 -2.192571
N 0.230484 1.790454 1.437209
N -5.352035 -1.601286 -0.119297
N 0.892846 0.846628 0.697819
C -2.403153 1.375533 0.205553
C -3.329043 1.211695 1.249293
C -2.410676 0.595732 -0.960826
C -4.339716 -0.608904 -0.057937
C -4.304619 0.209956 1.107571
C -3.389734 -0.408963 -1.098870
C 2.832015 -0.543469 0.276895
C 4.193392 -0.851759 0.599320
C 2.142339 0.529167 0.995366
C 2.192794 -1.294996 -0.746567
C 4.881711 -1.877595 -0.092399
C 2.874616 -2.314096 -1.437386
C 4.220319 -2.603214 -1.107562
C 6.171748 -0.345882 1.996646
C -5.605580 -2.539772 -1.132274
C 6.521832 0.630849 3.115807
C -6.783704 -3.463209 -0.827154
H -3.293493 1.857710 2.131692
H -1.676066 0.780348 -1.750666
H -5.042757 0.060846 1.905389
H -3.430140 -1.037659 -1.989365
H 0.784247 2.546769 1.906781
H -5.976778 -1.639438 0.690182
H 2.699992 1.032231 1.803797
H 1.150421 -1.054037 -0.977427
H 5.921341 -2.116031 0.148545
H 2.366281 -2.881279 -2.223699
H 4.758924 -3.395874 -1.638681
H 6.824130 -0.196272 1.112356
H 6.265402 -1.398033 2.334686
H 5.861643 0.480087 3.986845
H 6.413793 1.673536 2.771726
H 7.567337 0.476181 3.438696
H -6.574595 -4.095688 0.055647
H -6.950630 -4.116383 -1.695182
H -7.708672 -2.890604 -0.629263


