%chk=000003545.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003545

0 1
 S  -0.7477000      -1.083500      0.3600000    
 O  -0.5096000      -1.888000     -0.8201000    
 O  -0.6588000      -1.635000       1.695300    
 N   -2.253600     -0.2876000      0.1807000    
 N   -4.861000      0.5297000     -0.7092000    
 N    4.553600     -0.6805000     -0.5331000    
 C   -2.421800      0.4909000      -1.080400    
 C   -3.457100      -1.118500      0.4741000    
 C   -3.679800       1.349300     -0.9845000    
 C   -4.691200     -0.2232000      0.5345000    
 C   0.5288000      0.1696000      0.3250000    
 C    1.848800     -0.1465000      3.7999999E-02
 C   0.1086000       1.456400      0.6020000    
 C    2.793900      0.9002000      3.1599998E-02
 C    1.045100       2.487700      0.5948000    
 C    2.278300      -1.448600     -0.2432000    
 C    2.383000       2.214100      0.3112000    
 C    4.119100      0.5701000     -0.2588000    
 C    3.621300      -1.656800     -0.5181000    
 H   -2.513300     -0.2078000      -1.922100    
 H   -1.570400       1.138500      -1.292900    
 H   -3.335700      -1.616000       1.442000    
 H   -3.572200      -1.887500     -0.2990000    
 H   -3.562600       2.110600     -0.2032000    
 H   -3.829300       1.878000      -1.932100    
 H   -5.579300     -0.8426000      0.6999000    
 H   -4.617300      0.4700000       1.381800    
 H   -5.678900       1.133200     -0.6291000    
 H  -0.9095000       1.706400      0.8779000    
 H   0.7360000       3.503900      0.8217000    
 H    1.647200      -2.325800     -0.2114000    
 H    3.101400       3.030600      0.3123000    
 H    4.896900       1.328600     -0.2801000    
 H    3.995700      -2.653600     -0.7282000    


%chk=000003545-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003545

0 1
S -0.868800 -1.182574 1.166743
O -0.442094 -2.571523 0.413101
O -1.417977 -1.219134 2.702993
N -2.200358 -0.194747 0.171497
N -4.486681 0.244938 -1.393751
N 3.664513 0.291350 -1.867073
C -2.165200 -0.565952 -1.273823
C -3.550022 -0.437179 0.768250
C -3.148912 0.395294 -1.990424
C -4.511586 0.539937 0.050873
C 0.577097 0.062268 1.129204
C 1.570139 0.061673 0.097535
C 0.568678 0.964440 2.186961
C 2.577956 1.105534 0.186163
C 1.580501 1.970411 2.258356
C 1.675993 -0.865953 -0.993129
C 2.559531 2.043816 1.266183
C 3.585045 1.154117 -0.838870
C 2.708432 -0.712925 -1.920129
H -2.474631 -1.616603 -1.447874
H -1.146365 -0.412163 -1.669462
H -3.502941 -0.228231 1.849307
H -3.903831 -1.476891 0.607065
H -2.738834 1.430009 -1.903604
H -3.189330 0.124373 -3.061047
H -5.533300 0.382927 0.441070
H -4.194486 1.581875 0.294874
H -5.236525 0.696003 -1.928287
H -0.203707 0.883590 2.959451
H 1.573746 2.678454 3.092652
H 0.979754 -1.705988 -1.067786
H 3.335675 2.817115 1.305868
H 4.352169 1.938717 -0.798739
H 2.814953 -1.410677 -2.756851


