%chk=000129260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129260

0 1
 S   -4.695400       1.138400      0.5982000    
 O  -0.7678000     -0.8329000      -1.027500    
 O   -6.243600      0.6858000      0.8416000    
 O   -2.608700       1.196800      -1.818800    
 O   -2.254200      -2.908800      0.2473000    
 O   -4.686000       2.450300     -2.4400000E-02
 O   -3.936300      0.8679000       1.806400    
 O  -0.5345000      0.2076000       1.019400    
 O    7.780500      0.1477000     -0.4201000    
 N   -2.128400     -0.8303000     -0.7876000    
 C   -4.287600     -7.5000003E-02 -0.6144000    
 C   -4.193200      -1.482500     -1.7200001E-02
 C   -2.919300      0.2039000      -1.178700    
 C   -2.741300      -1.861300     -0.1492000    
 C    1.428700     -0.2938000     -0.3251000    
 C    2.274100      0.3034000      0.7994000    
 C  -4.8000000E-02 -0.2595000     -1.6000000E-03
 C    3.744700      0.2618000      0.4739000    
 C    4.493600     -0.8462000      0.8423000    
 C    4.326800       1.332100     -0.1891000    
 C    5.855100     -0.8845000      0.5410000    
 C    5.688200       1.293700     -0.4905000    
 C    6.452400      0.1854000     -0.1253000    
 H   -5.028700     -2.3499999E-02  -1.417900    
 H   -4.782200      -2.187700     -0.6137000    
 H   -4.507500      -1.555500       1.027200    
 H    1.585500      0.2673000      -1.253700    
 H    1.714500      -1.338500     -0.4953000    
 H    2.088700     -0.2335000       1.739200    
 H    1.968400       1.340000      0.9939000    
 H   -6.864000      0.8797000      0.1000000    
 H    4.037100      -1.685200       1.359800    
 H    3.739800       2.198800     -0.4793000    
 H    6.439200      -1.754100      0.8304000    
 H    6.147600       2.130000      -1.010400    
 H    8.151600     -0.6907000     -9.5200002E-02


%chk=000129260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000129260

0 1
S -5.025601 1.034387 0.682488
O -0.717468 -0.880666 -0.978502
O -6.606244 1.253799 -0.273573
O -2.588035 1.208044 -1.745710
O -2.208813 -3.032861 0.295754
O -4.246105 2.438754 0.781425
O -5.333316 0.196314 2.032739
O -0.552547 0.106526 1.171365
O 7.922992 0.202692 -0.672642
N -2.115354 -0.901732 -0.746062
C -4.349845 -0.249301 -0.728806
C -4.259228 -1.645362 -0.113228
C -2.947001 0.174920 -1.153369
C -2.767468 -2.006031 -0.125271
C 1.492815 -0.321508 -0.190185
C 2.372567 0.344580 0.900449
C 0.027382 -0.295240 0.162555
C 3.845418 0.301614 0.521188
C 4.687569 -0.743436 0.974463
C 4.407570 1.291768 -0.328249
C 6.047069 -0.806914 0.596208
C 5.760548 1.246123 -0.716359
C 6.581131 0.191604 -0.252978
H -5.113691 -0.066867 -1.497680
H -4.834669 -2.390641 -0.687584
H -4.631866 -1.672167 0.930240
H 1.626859 0.176663 -1.168955
H 1.792823 -1.375531 -0.347869
H 2.201647 -0.172602 1.861646
H 2.035392 1.388049 1.039759
H -7.176847 1.925244 0.199530
H 4.282258 -1.516241 1.639077
H 3.780444 2.119099 -0.683168
H 6.683157 -1.622489 0.964451
H 6.197511 2.011697 -1.364097
H 8.418745 -0.565191 -0.294048


