%chk=000056012.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056012

0 1
 S   3.5599999E-02  -1.397800      0.3486000    
 O   0.9493000      -1.792800       1.402700    
 O   7.0299998E-02  -2.061000     -0.9418000    
 O   -3.879900     -0.6515000      -1.335100    
 O   -2.842100       2.028100      0.8583000    
 O   -1.300000       3.154700     -0.3981000    
 N   -2.143200     -0.2276000      0.2032000    
 N    2.538900      0.3961000     -0.5439000    
 N    3.033600     -0.8294000     -0.7542000    
 N    4.257800     -0.8465000     -0.2384000    
 C   0.1577000      0.4293000      8.2099997E-02
 C   -1.634800      -1.368500      0.9801000    
 C   -1.270100      0.7685000     -0.3878000    
 C   -2.744700      -2.209400      0.3381000    
 C   -3.121000     -0.9302000     -0.4348000    
 C    1.202200      0.7333000     -0.9927000    
 C   0.5561000       1.104800       1.403500    
 C   -1.788700       2.112300      1.0800000E-02
 C    3.415800       1.199200      0.1067000    
 C    4.507100      0.3884000      0.2927000    
 H   -1.703600      -1.206300       2.059300    
 H   -1.373500      0.6769000      -1.476200    
 H   -3.523600      -2.550200       1.025400    
 H   -2.419800      -3.037200     -0.2962000    
 H    1.207100       1.801400      -1.241700    
 H    1.018900      0.1853000      -1.924000    
 H  -0.2405000      0.9983000       2.149600    
 H    1.445800      0.6669000       1.865000    
 H   0.7336000       2.177600       1.270900    
 H   -3.177300       2.913400       1.115800    
 H    3.210200       2.227900      0.3665000    
 H    5.444600      0.6257000      0.7721000    


%chk=000056012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000056012

0 1
S -0.109634 -1.553558 0.800819
O 0.498435 -1.937770 2.259042
O 0.205845 -2.402943 -0.569015
O -3.181526 -0.771928 -2.250796
O -2.625746 1.938184 1.603710
O -1.416578 3.340447 0.192442
N -2.258517 -0.212384 -0.062571
N 2.508643 0.444340 -0.499692
N 2.953896 -0.605474 0.338999
N 4.284932 -0.444267 0.474964
C 0.122168 0.501647 0.317553
C -2.104445 -1.321218 0.862134
C -1.322701 0.913263 -0.177588
C -2.851324 -2.258472 -0.120339
C -2.858633 -1.033726 -1.086836
C 1.095041 0.524676 -0.876528
C 0.608291 1.119021 1.622642
C -1.784553 2.195488 0.525561
C 3.566393 1.243825 -0.879652
C 4.685720 0.673789 -0.261670
H -2.352455 -1.196829 1.923616
H -1.276707 1.165660 -1.253964
H -3.839557 -2.611665 0.209730
H -2.236726 -3.090167 -0.505446
H 0.954257 1.470040 -1.431170
H 0.854507 -0.324115 -1.551082
H -0.186025 1.127680 2.388290
H 1.455444 0.540350 2.027303
H 0.943422 2.160489 1.454721
H -2.895592 2.795005 2.034402
H 3.458888 2.108127 -1.528591
H 5.726641 0.982185 -0.294487


