%chk=000168566.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168566

0 1
 S    1.464800      0.5367000       1.309400    
 O   0.9103000     -8.8999998E-03  -1.823800    
 O    2.966100      -2.222200      0.2340000    
 O    3.668800       2.471000      0.4804000    
 O   -1.855900      -2.326500      0.4443000    
 N  -0.8996000     -0.2328000      0.2764000    
 N   -3.281200     -0.5952000      9.3999997E-02
 N   -4.736000       1.182900     -0.2668000    
 C    1.176400      -1.005700     -0.8425000    
 C    2.668600      -1.036300     -0.5033000    
 C   0.4435000     -0.6979000      0.4627000    
 C    2.996600      0.1806000      0.3738000    
 C    3.401700       1.414100     -0.4242000    
 C   -1.116900       1.124700      8.5699998E-02
 C   -2.011600      -1.115200      0.2797000    
 C   -2.329500       1.644200     -9.5700003E-02
 C   -3.466100      0.6867000     -8.3899997E-02
 H   0.8321000      -1.966700      -1.241800    
 H    3.283900      -1.047800      -1.410000    
 H   0.4318000      -1.593000       1.095400    
 H    3.773600     -4.9400002E-02   1.111500    
 H    2.637300       1.746600      -1.133000    
 H    4.317900       1.216900     -0.9899000    
 H    1.420900     -0.2386000      -2.618800    
 H    3.922400      -2.224100      0.4107000    
 H  -0.2784000       1.805000      1.2800000E-02
 H    2.849500       2.649000      0.9730000    
 H   -2.502300       2.697500     -0.2721000    
 H   -4.911900       2.172200     -0.4077000    
 H   -5.541000      0.5658000     -0.2667000    


%chk=000168566-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168566

0 1
S 1.614471 0.315949 1.573136
O 1.049521 0.035148 -1.866862
O 2.953749 -2.338564 0.123129
O 3.610289 2.577422 0.561339
O -1.766739 -2.331041 0.547036
N -0.847165 -0.181556 0.250222
N -3.254929 -0.555542 0.148289
N -4.694286 1.204550 -0.304163
C 1.261372 -1.018748 -0.872248
C 2.763745 -1.042928 -0.539980
C 0.485207 -0.764193 0.458220
C 3.101402 0.154971 0.376456
C 3.352722 1.478671 -0.374061
C -1.027263 1.151851 -0.056153
C -2.001716 -1.109758 0.331752
C -2.289470 1.670631 -0.270259
C -3.404450 0.755849 -0.140489
H 0.963813 -2.008716 -1.268024
H 3.355230 -0.987984 -1.477320
H 0.332035 -1.723796 0.974199
H 3.975684 -0.062594 1.017575
H 2.507275 1.701306 -1.051064
H 4.279576 1.400549 -0.970572
H 0.188852 -0.117688 -2.329851
H 3.830224 -2.358745 0.582035
H -0.123240 1.763786 -0.088095
H 2.798689 2.687991 1.125337
H -2.424768 2.729976 -0.496332
H -4.904749 2.177150 -0.509926
H -5.449278 0.529652 -0.189725


