%chk=000154451.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154451

0 1
 S   -4.690100      0.3823000     -0.1613000    
 O    1.472400      -2.947600      0.7200000    
 O    3.066200     -0.1626000      -2.225500    
 O   -5.750000       1.358900     -0.3294000    
 O   -4.495700     -0.6698000      -1.139200    
 N    3.032200      0.3120000     -0.1714000    
 N   -3.217700       1.223600      0.1387000    
 N    3.770100      0.1148000      -1.247100    
 C    1.660500      -1.738300     -1.3900000E-02
 C    2.823800     -0.9333000      0.5783000    
 C    3.539700       1.349100      0.7257000    
 C   0.3670000     -0.9547000      2.6200000E-02
 C    3.740700       2.655900     -3.6200002E-02
 C    4.844700      0.8780000       1.359600    
 C  -0.3152000     -0.7145000      -1.154000    
 C  -0.1055000     -0.4928000       1.242600    
 C   -1.997600      0.4828000      0.1003000    
 C   -1.506600      9.9999998E-03  -1.116700    
 C   -1.297000      0.2314000       1.279900    
 C   -4.942100     -0.3852000       1.423500    
 H    1.886400      -2.047000      -1.040800    
 H    3.725600      -1.564600      0.6015000    
 H    2.598600     -0.7404000       1.636400    
 H    2.803100       1.542700       1.516400    
 H    3.999400       3.460200      0.6623000    
 H    4.549500       2.602100     -0.7736000    
 H    2.822400       2.959400     -0.5519000    
 H    4.717200      2.1100000E-02   2.028300    
 H    5.260800       1.681900       1.979500    
 H    5.614400      0.6266000      0.6210000    
 H   5.8499999E-02  -1.074700      -2.107900    
 H   0.4155000     -0.6907000       2.174200    
 H   -2.034000      0.2088000      -2.046000    
 H   -1.672500      0.5912000       2.234400    
 H    2.309400      -3.441600      0.6900000    
 H   -3.259200       1.919500      0.8956000    
 H   -4.969500      0.3881000       2.193400    
 H   -5.900000     -0.9094000       1.393600    
 H   -4.139300      -1.100100       1.610700    


%chk=000154451-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154451

0 1
S -4.333305 1.361530 0.136305
O 1.648632 -3.159569 1.287044
O 3.952353 -1.568987 -1.848486
O -5.460100 2.171623 0.976997
O -3.905806 1.775868 -1.369031
N 3.307036 -0.122710 -0.261380
N -2.777161 1.484544 1.222359
N 3.796246 -0.321141 -1.533253
C 1.733826 -2.026607 0.348885
C 3.068800 -1.265531 0.643335
C 3.161043 1.288524 0.215005
C 0.510820 -1.155737 0.569340
C 2.917562 2.263183 -0.952855
C 4.392850 1.697164 1.058947
C -0.012879 -0.371596 -0.489904
C -0.097989 -1.076056 1.846731
C -1.708733 0.574883 1.001222
C -1.097799 0.502811 -0.282467
C -1.213052 -0.241881 2.057903
C -4.815803 -0.503426 0.082509
H 1.770431 -2.384651 -0.698641
H 3.905899 -1.978824 0.510774
H 3.052984 -0.901262 1.683907
H 2.262454 1.283666 0.862078
H 2.722072 3.269370 -0.541694
H 3.791212 2.316672 -1.621672
H 2.043942 1.956871 -1.552877
H 4.574248 0.992083 1.890378
H 4.234651 2.700726 1.492428
H 5.296192 1.728697 0.424562
H 0.439095 -0.435112 -1.487013
H 0.282958 -1.707295 2.655098
H -1.478964 1.133102 -1.092022
H -1.695593 -0.209580 3.043105
H 2.330740 -3.834210 1.041859
H -3.119577 1.577628 2.192330
H -5.123575 -0.773081 1.101763
H -5.644081 -0.559851 -0.637230
H -3.925527 -1.048739 -0.259138


