%chk=000131351.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131351

0 1
 S   -1.907600      0.6146000      0.8222000    
 O   -2.407300       1.954300       1.094100    
 O    2.855400     -0.4859000      0.4891000    
 O    2.788300      1.6899999E-02  -1.758400    
 N   -1.626200     -0.4607000       1.899900    
 N    1.786400       2.491000      -1.262300    
 C   -3.050100     -0.1209000     -0.3280000    
 C  -0.4387000      0.7870000     -0.1432000    
 C   0.6871000       1.412200      0.6753000    
 C   -2.509700      -1.440300     -0.8904000    
 C   -4.392900     -0.3396000      0.3616000    
 C    1.992800       1.624400     -0.1026000    
 C   -3.427500      -2.074600      -1.926700    
 C    2.588600      0.3137000     -0.5874000    
 C    3.413300      -1.767900      0.1833000    
 C    3.648100      -2.524100       1.473400    
 H   -3.178500      0.6065000      -1.138500    
 H  -0.7019000       1.399100      -1.010400    
 H  -0.1176000     -0.1992000     -0.4803000    
 H   0.3514000       2.381000       1.068800    
 H   0.8880000      0.7902000       1.556600    
 H   -2.325900      -2.167600     -9.1300003E-02
 H   -1.553700      -1.279800      -1.394400    
 H   -5.171000     -0.6057000     -0.3609000    
 H   -4.731600      0.5699000      0.8696000    
 H   -4.344100      -1.136600       1.111100    
 H    2.736700       2.102600      0.5451000    
 H   -4.356600      -2.436100      -1.476700    
 H   -3.676500      -1.363900      -2.721000    
 H   -2.932500      -2.935900      -2.387700    
 H   -2.458900     -0.7820000       2.401300    
 H    1.156800       2.049500      -1.930300    
 H    1.329700       3.353700     -0.9689000    
 H    4.363100      -1.635900     -0.3467000    
 H    2.716500      -2.326600     -0.4515000    
 H    4.074400      -3.511500       1.276100    
 H    4.328900      -1.968900       2.127000    
 H    2.709400      -2.647500       2.023700    


%chk=000131351-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131351

0 1
S -2.128541 0.281534 1.215322
O -2.015582 1.954292 1.290435
O 3.085898 -0.381448 0.303650
O 2.153223 0.063710 -1.783468
N -2.878606 -0.629556 2.457244
N 0.150744 1.607462 -0.645824
C -2.776541 -0.098389 -0.674542
C -0.357247 -0.507396 1.311110
C 0.685954 0.584150 1.542660
C -3.111244 -1.590039 -0.739185
C -3.917776 0.879734 -0.937490
C 1.247191 1.195273 0.229886
C -3.551476 -2.016370 -2.162618
C 2.166075 0.236135 -0.542857
C 4.103628 -1.259697 -0.356964
C 4.986050 -1.822690 0.751621
H -1.848895 0.177776 -1.209836
H -0.225175 -1.046457 0.360437
H -0.489204 -1.193499 2.161453
H 0.231401 1.402337 2.135197
H 1.520773 0.165331 2.130485
H -3.910405 -1.823770 -0.008807
H -2.230666 -2.191342 -0.439690
H -4.143979 0.907475 -2.019876
H -3.634523 1.898644 -0.618914
H -4.841730 0.585757 -0.405298
H 1.924068 2.030615 0.545572
H -4.478943 -1.501134 -2.468869
H -2.769658 -1.788481 -2.910245
H -3.744200 -3.103861 -2.191970
H -3.848941 -0.242315 2.577263
H 0.432192 1.893698 -1.586312
H -0.558696 2.188739 -0.176179
H 4.668849 -0.645712 -1.081425
H 3.569022 -2.047216 -0.918110
H 5.760943 -2.478475 0.314446
H 5.490027 -1.012437 1.305495
H 4.392092 -2.416978 1.466807


