%chk=000058638.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058638

0 1
 S    1.961500       1.958300     -0.3510000    
 O    2.098800       3.288700      0.2300000    
 O    2.309200       1.765500      -1.753600    
 O   -3.981000      -1.401600      -1.224300    
 N    2.858300      0.8548000      0.6219000    
 N   -3.638300      0.1914000      0.4795000    
 N    3.027500      -1.059300     -0.7460000    
 C   0.3130000       1.438500     -0.1070000    
 C  -0.2485000      0.4800000     -0.9507000    
 C  -0.4426000       1.981500      0.9320000    
 C   -2.321300      0.6076000      0.2838000    
 C   -1.565700      6.4599998E-02 -0.7554000    
 C   -1.759800       1.566000       1.127500    
 C    2.627600     -0.5526000      0.4368000    
 C    2.030200      -1.282400       1.445000    
 C   -4.366400     -0.7520000     -0.2577000    
 C    1.827100      -2.639700       1.222300    
 C    2.813600      -2.381900     -0.9264000    
 C    2.223500      -3.207800      1.6700000E-02
 C   -5.766800     -0.9196000      0.2764000    
 H   0.3220000      4.3600000E-02  -1.765800    
 H  -2.4000000E-02   2.723200       1.606100    
 H    2.973000       1.135800       1.605000    
 H   -1.930500     -0.6807000      -1.448200    
 H   -2.336500       1.996100       1.942500    
 H   -4.122400      0.6343000       1.257800    
 H    1.723800     -0.8268000       2.380300    
 H    1.359800      -3.253500       1.986400    
 H    3.139700      -2.775800      -1.883300    
 H    2.074400      -4.263500     -0.1789000    
 H   -5.727800      -1.286700       1.305800    
 H   -6.314100      -1.640000     -0.3377000    
 H   -6.291600      3.9500002E-02  0.2497000    


%chk=000058638-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058638

0 1
S 1.715072 1.684168 -0.024193
O 1.928122 3.076169 0.798217
O 2.278898 1.517297 -1.532674
O -4.581111 -1.160401 -1.448031
N 2.532636 0.497959 1.166612
N -4.240421 0.514804 0.164207
N 2.084874 -1.411163 -0.139624
C -0.107809 1.251397 0.035952
C -0.618126 0.289311 -0.847308
C -0.900973 1.972275 0.943510
C -2.839465 0.728289 0.084926
C -2.001894 0.023331 -0.825821
C -2.280420 1.700506 0.962909
C 2.864704 -0.814856 0.811252
C 3.933226 -1.493173 1.469924
C -5.038326 -0.379019 -0.567629
C 4.168701 -2.840578 1.139988
C 2.348580 -2.709944 -0.455797
C 3.366916 -3.471626 0.156874
C -6.519155 -0.319599 -0.195518
H 0.055108 -0.247078 -1.521050
H -0.451780 2.730411 1.592125
H 3.164279 1.041420 1.769724
H -2.442286 -0.717192 -1.494572
H -2.926692 2.248704 1.659491
H -4.732996 1.092632 0.850216
H 4.548267 -0.978050 2.214962
H 4.977502 -3.388565 1.634959
H 1.710023 -3.146696 -1.231947
H 3.530157 -4.513250 -0.132399
H -6.677364 -0.596202 0.863469
H -7.068279 -1.028951 -0.830520
H -6.934267 0.693170 -0.352734


