%chk=000088789.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088789

0 1
 S   -3.636900      0.3969000      0.1201000    
 O   0.6466000      -2.235700     -0.2169000    
 N   -1.338800      -1.014100     -5.8899999E-02
 N   0.1515000       1.071900      0.9164000    
 N   -1.228800       1.196700      0.7608000    
 N   -2.154800      -2.031600     -0.5474000    
 C    2.958200      0.2761000     -0.5011000    
 C    2.229100     -0.1625000      0.7704000    
 C   0.7415000     -3.4699999E-02  0.5997000    
 C    2.694100       1.748800     -0.8248000    
 C    4.460900      4.1000001E-02 -0.3429000    
 C   1.1600000E-02  -1.229400      5.8899999E-02
 C   -1.900300      0.1932000      0.2984000    
 C   -3.634000       1.783200      -1.032700    
 H    2.606600     -0.3253000      -1.348900    
 H    2.486200      -1.193800       1.035700    
 H    2.534900      0.4620000       1.619600    
 H    3.313500       2.074900      -1.667800    
 H    2.925500       2.394300      2.9400000E-02
 H    1.652800       1.917800      -1.114700    
 H    4.670300      -1.015200     -0.1427000    
 H    4.997000      0.3186000      -1.256700    
 H    4.871800      0.6312000      0.4833000    
 H   -1.802300      -2.285300      -1.469600    
 H   -2.012800      -2.846000      4.9199998E-02
 H   -3.210100       2.675800     -0.5647000    
 H   -4.661400       2.005900      -1.332800    
 H   -3.056600       1.535700      -1.927800    


%chk=000088789-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000088789

0 1
S -3.706212 0.156069 -0.734922
O 0.746870 -2.214074 -0.211066
N -1.259122 -1.017067 -0.409334
N -0.021142 1.289075 0.547146
N -1.386633 1.306475 0.189770
N -1.960803 -2.159533 -0.893125
C 3.132169 0.136398 -0.421283
C 2.156525 0.190798 0.800439
C 0.699849 0.161328 0.415891
C 2.996150 1.394676 -1.308390
C 4.582628 -0.028355 0.087601
C 0.135895 -1.114401 -0.078537
C -1.955525 0.182989 -0.268133
C -4.114179 1.961335 -0.355639
H 2.870825 -0.759232 -1.018905
H 2.371809 -0.679241 1.450688
H 2.341735 1.116812 1.374549
H 3.661090 1.323921 -2.189173
H 3.275477 2.303970 -0.742508
H 1.962076 1.535862 -1.671605
H 4.699976 -0.956632 0.676985
H 5.293472 -0.069996 -0.758241
H 4.873154 0.825141 0.730341
H -1.528515 -2.488744 -1.768675
H -1.950511 -2.902929 -0.179521
H -3.926057 2.168741 0.706083
H -5.182319 2.066283 -0.602309
H -3.493383 2.620731 -0.976627


