%chk=000112284.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112284

0 1
 S  -0.5678000       1.400800       2.339900    
 S   0.5049000     -0.3189000       2.688400    
 S   -4.959000     -0.7549000      -1.728100    
 S    5.079600      0.2074000      -1.701800    
 O   -1.188600       2.857700      -1.733200    
 O    1.274300      -3.171400     -0.5317000    
 O  -0.1667000       2.858100      0.2097000    
 O   0.1747000      -2.460700       1.230400    
 N   -1.040200       2.414400     -0.5710000    
 N    1.083700      -2.331700      0.3781000    
 C   -1.787600      0.8273000       1.160100    
 C    1.771900     -0.2149000       1.437300    
 C   -1.895800       1.368600     -0.1208000    
 C    1.931600      -1.189200      0.4463000    
 C   -3.722500     -0.1375000     -0.6028000    
 C    3.792100      4.2199999E-02 -0.4805000    
 C   -2.863400      0.8863000      -1.002300    
 C    2.939000      -1.061000     -0.5099000    
 C   -2.646800     -0.1964000       1.559600    
 C    2.630500      0.8887000       1.461300    
 C   -3.614200     -0.6788000      0.6781000    
 C    3.637900       1.017000      0.5051000    
 C   -4.490300      -2.502800      -1.868700    
 C    4.122700      0.2496000      -3.243500    
 H   -2.968100       1.291200      -2.006800    
 H    3.082000      -1.813900      -1.281900    
 H   -2.596000     -0.6284000       2.556200    
 H    2.543900       1.659200       2.224000    
 H   -4.279000      -1.470400       1.014600    
 H    4.294700       1.882600      0.5452000    
 H   -3.447500      -2.592500      -2.185000    
 H   -5.125300      -2.984400      -2.616900    
 H   -4.626900      -3.018500     -0.9148000    
 H    3.627900     -0.7090000      -3.419400    
 H    4.799200      0.4483000      -4.078900    
 H    3.372900       1.044400      -3.204200    


%chk=000112284-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000112284

0 1
S -0.559024 1.437092 2.227335
S 0.557395 -0.665492 2.298844
S -5.530293 0.418860 -1.904818
S 4.849644 -0.054736 -2.595631
O -3.647180 4.340187 1.046740
O 3.506340 -3.721170 1.142947
O -1.801603 3.625445 2.183587
O 1.807556 -2.852385 2.397582
N -2.789664 3.427503 1.347068
N 2.678161 -2.772157 1.422163
C -1.930729 1.091624 1.053443
C 1.757545 -0.500511 0.918532
C -2.892321 2.099199 0.740996
C 2.683509 -1.544165 0.630416
C -4.117406 0.620458 -0.764948
C 3.684497 -0.307151 -1.215969
C -3.966863 1.877945 -0.149548
C 3.634435 -1.459197 -0.417083
C -2.110717 -0.164817 0.424139
C 1.833789 0.655257 0.095914
C -3.174576 -0.399271 -0.465450
C 2.768968 0.751863 -0.944907
C -5.371679 -1.375164 -2.433482
C 5.844724 -1.645672 -2.567763
H -4.659393 2.705171 -0.332762
H 4.299177 -2.315164 -0.555357
H -1.410299 -0.976298 0.644725
H 1.156276 1.492875 0.287480
H -3.260251 -1.391362 -0.918290
H 2.794854 1.662697 -1.553298
H -4.426242 -1.544521 -2.971724
H -6.216451 -1.546020 -3.118056
H -5.462301 -2.048415 -1.567082
H 6.375583 -1.754876 -1.609385
H 6.576257 -1.544919 -3.383734
H 5.196082 -2.514210 -2.760523


