%chk=000158356.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158356

0 1
 S   -5.167100     -0.7926000     -0.4767000    
 O   -4.276900     -0.3311000      0.8248000    
 O    5.176900      -2.517400     -6.4999998E-02
 O    5.581500     -0.3732000     -0.3415000    
 O   -6.600700      -1.235000      0.1663000    
 O   -5.396500      0.3614000      -1.326600    
 O   -4.552400      -1.986700      -1.027100    
 N    4.793700      -1.327600     -0.1464000    
 C    1.539100      0.4179000      5.4299999E-02
 C   0.6490000     -0.6251000      0.2702000    
 C   0.8616000       1.628300      6.8000001E-03
 C  -0.6879000     -5.5599999E-02  0.3688000    
 C  -0.5549000       1.353300      0.2039000    
 C    2.916500      0.2706000     -9.3699999E-02
 C    1.132900      -1.917600      0.3494000    
 C    1.577400       2.792600     -0.2013000    
 C    3.405000      -1.048000     -1.2300000E-02
 C   -1.923700     -0.6375000      0.5770000    
 C   -1.657300       2.185300      0.2469000    
 C    3.641700       1.459500     -0.3055000    
 C    2.516800      -2.123300      0.2069000    
 C    2.972100       2.701300     -0.3573000    
 C   -3.039100      0.2039000      0.6204000    
 C   -2.907700       1.596700      0.4575000    
 H   0.4713000      -2.761000      0.5172000    
 H    1.087200       3.759400     -0.2454000    
 H   -2.029200      -1.709600      0.7049000    
 H   -1.568100       3.258700      0.1234000    
 H    4.710900       1.532600     -0.4403000    
 H    2.872100      -3.149900      0.2734000    
 H    3.547800       3.609400     -0.5216000    
 H   -3.790900       2.230200      0.4980000    
 H   -6.544500      -1.820300      0.9578000    


%chk=000158356-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158356

0 1
S -5.335250 -1.150791 -0.785850
O -4.384849 0.023807 0.832490
O 5.034379 -2.799681 -0.128730
O 5.668897 -0.623682 -0.305828
O -6.257050 -1.980241 0.572799
O -6.453896 -0.626520 -1.826671
O -4.153618 -2.119589 -1.336757
N 4.763926 -1.537061 -0.164113
C 1.542826 0.472842 0.076294
C 0.573212 -0.569257 0.242342
C 0.905459 1.761496 0.069857
C -0.746976 0.091536 0.350914
C -0.534773 1.524569 0.239844
C 2.943806 0.273690 -0.067972
C 1.008380 -1.898036 0.263597
C 1.697090 2.906991 -0.085832
C 3.345209 -1.116772 -0.034297
C -2.025747 -0.432446 0.530975
C -1.630907 2.419969 0.291700
C 3.732571 1.470465 -0.225200
C 2.404536 -2.153014 0.123765
C 3.109414 2.733047 -0.231074
C -3.140850 0.482562 0.599365
C -2.925732 1.900288 0.447075
H 0.316246 -2.737413 0.378461
H 1.266979 3.913664 -0.099438
H -2.223910 -1.505214 0.609024
H -1.478471 3.500375 0.204188
H 4.813794 1.391734 -0.339643
H 2.780258 -3.179772 0.136107
H 3.738240 3.621282 -0.353286
H -3.805661 2.550434 0.480994
H -5.790932 -1.659660 1.402097


