%chk=000133315.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133315

0 1
 S    1.030900      -2.136700     -0.3177000    
 S    3.328600       1.700900      -1.909500    
 O    1.085400      -3.383000      0.4365000    
 O    1.247400      -2.160900      -1.759000    
 O    3.984100      0.9739000       1.638100    
 O   -4.563700       1.776700      -1.183700    
 N    2.100800      -1.010000      0.3896000    
 N   -4.215900      0.4261000      0.7172000    
 N    2.430400      0.3264000      -1.564000    
 N    4.037400       1.981300     -0.4148000    
 C  -0.5133000      -1.381800     -1.3100000E-02
 C   -1.051700     -0.4939000     -0.9443000    
 C   -1.208900      -1.667000       1.161800    
 C   -2.981400     -0.1762000      0.4741000    
 C   -2.285700      0.1091000     -0.7007000    
 C   -2.443000      -1.064200       1.405400    
 C    2.687100      9.0300001E-02 -0.2806000    
 C    3.572500      0.9987000      0.3599000    
 C   -4.910100       1.334600     -9.3099996E-02
 C   -6.218400       1.753200      0.5295000    
 C    4.887400       2.002600       2.068500    
 H  -0.5269000     -0.2550000      -1.864900    
 H  -0.8054000      -2.349900       1.904000    
 H    2.417700      -1.185000       1.351800    
 H   -2.637200      0.7857000      -1.467100    
 H   -2.973600      -1.294500       2.325900    
 H   -4.660100      0.1669000       1.595700    
 H   -6.865600      0.8800000      0.6510000    
 H   -6.719700       2.480600     -0.1149000    
 H   -6.035200       2.211300       1.505500    
 H    5.111500       1.825300       3.124500    
 H    4.424000       2.991000       1.981600    
 H    5.828100       1.955300       1.509800    


%chk=000133315-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133315

0 1
S 1.072078 -1.890630 0.193904
S 2.826093 2.461932 -1.556477
O 1.222396 -3.013697 1.359951
O 1.470448 -2.199196 -1.344291
O 4.663886 0.702060 1.372154
O -4.824580 1.605703 -1.410580
N 2.162615 -0.514531 0.881963
N -4.572038 0.314577 0.535682
N 1.855464 1.081105 -0.896150
N 4.196780 2.256824 -0.398400
C -0.649382 -1.157785 0.276961
C -1.096742 -0.334883 -0.767925
C -1.436003 -1.506856 1.387292
C -3.240325 -0.157764 0.404591
C -2.410255 0.172055 -0.704512
C -2.745095 -0.998254 1.442823
C 2.585284 0.547472 0.098575
C 3.880820 1.208275 0.361685
C -5.297180 1.144617 -0.333380
C -6.719666 1.453030 0.124696
C 5.963047 1.382036 1.588320
H -0.434621 -0.083919 -1.601271
H -1.038842 -2.165229 2.165819
H 2.836129 -0.906635 1.556147
H -2.800306 0.817795 -1.492312
H -3.386450 -1.256253 2.294396
H -5.065884 0.006200 1.376176
H -7.427116 1.104956 -0.647450
H -6.839472 2.546962 0.205481
H -6.993120 0.993079 1.090085
H 6.434187 0.831769 2.414134
H 5.793056 2.438997 1.854741
H 6.572295 1.327986 0.670174


