%chk=000128742.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128742

0 1
 S    3.933800      -1.136100     -0.3837000    
 O    3.982200      -2.000900      -1.602800    
 O   -5.718700      0.6907000     -0.7862000    
 O   -4.811200      1.6500000E-02   1.201800    
 N   -1.171500     -1.2900000E-02  -1.192400    
 N   -1.832100     -0.4339000      0.8877000    
 N   -3.481200      0.2762000     -0.7199000    
 C    4.108800       1.575300      0.2470000    
 C    4.262000      0.5774000     -0.9064000    
 C    2.161700     -0.9364000      6.8400003E-02
 C    5.066300       1.200400       1.381700    
 C    4.381700       3.016000     -0.1933000    
 C  -3.8699999E-02 -0.3904000     -0.5180000    
 C    1.291200     -0.5249000     -0.9180000    
 C  -0.4773000     -0.6479000      0.7780000    
 C    1.793200      -1.206600       1.366400    
 C   0.4524000      -1.064900       1.745500    
 C   -2.215600     -5.4699998E-02 -0.3108000    
 C   -4.680900      0.2994000      1.7100001E-02
 C   -7.006200      0.7577000     -0.1622000    
 H    3.086600       1.550100      0.6410000    
 H    3.603200      0.8363000      -1.740700    
 H    5.287600      0.5939000      -1.292600    
 H    6.098700       1.118100       1.024300    
 H    5.049200       1.967100       2.164900    
 H    4.793300      0.2588000       1.866600    
 H    5.404600       3.129000     -0.5682000    
 H    4.245000       3.713200      0.6400000    
 H    3.693600       3.309700     -0.9929000    
 H    1.589300     -0.3272000      -1.940300    
 H    2.519200      -1.527900       2.108100    
 H   0.1440000      -1.273500       2.765000    
 H   -1.225200      0.2493000      -2.167500    
 H   -3.566700      0.5441000      -1.697600    
 H   -6.994700       1.489100      0.6514000    
 H   -7.299300     -0.2294000      0.2076000    
 H   -7.731300       1.080300     -0.9140000    


%chk=000128742-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128742

0 1
S 3.749795 -1.032711 -0.676918
O 3.526360 -1.417107 -2.299014
O -6.086683 0.194204 -0.865982
O -5.029053 0.413216 1.231776
N -1.533724 -0.410268 -1.348865
N -2.044056 -0.036398 0.857534
N -3.857978 -0.055050 -0.796873
C 4.626599 1.517324 0.535024
C 4.382148 0.815646 -0.807868
C 1.981120 -0.659465 -0.076607
C 5.719106 0.812721 1.374417
C 5.010951 2.996307 0.264111
C -0.306051 -0.458906 -0.663918
C 1.011742 -0.686280 -1.091422
C -0.649862 -0.223990 0.713650
C 1.691919 -0.453032 1.295051
C 0.358364 -0.225573 1.703532
C -2.527747 -0.154831 -0.383652
C -4.974685 0.206921 0.007506
C -7.384805 0.451770 -0.208560
H 3.677225 1.518891 1.107873
H 3.603470 1.295818 -1.423951
H 5.305184 0.693033 -1.402642
H 6.682060 0.799510 0.828940
H 5.879083 1.345067 2.329576
H 5.452630 -0.234462 1.609729
H 5.952567 3.060051 -0.313542
H 5.160818 3.534804 1.217926
H 4.222959 3.522384 -0.305103
H 1.335405 -0.898037 -2.120401
H 2.492606 -0.487797 2.042316
H 0.100414 -0.064134 2.753854
H -1.661779 -0.544119 -2.350525
H -4.073999 -0.188699 -1.786426
H -7.383310 1.446701 0.267659
H -7.586720 -0.316860 0.556327
H -8.125073 0.404350 -1.019535


