%chk=000067311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067311

0 1
 S    4.598100       1.356500      0.2203000    
 O   -4.403900       2.080400      0.2655000    
 O    5.059600       1.806500      -1.282300    
 O    3.786300       2.439300      0.7568000    
 O    5.777000      0.8901000      0.9337000    
 N  -1.4300000E-02 -0.7866000     -0.5420000    
 N  -0.5910000     -0.8145000      0.5706000    
 N   -6.106300     -0.1280000     -0.1150000    
 C    3.562700     -2.9300001E-02 -1.3400000E-02
 C    2.189300      0.1461000     -0.1837000    
 C    1.369400     -0.9626000     -0.3704000    
 C    4.109200      -1.312700     -3.0500000E-02
 C   -1.967900     -0.6391000      0.4004000    
 C   -3.888500      0.8185000      0.2465000    
 C   -4.714500     -0.2899000      5.9200000E-02
 C    1.909500      -2.245000     -0.3884000    
 C   -2.515100      0.6439000      0.4171000    
 C    3.282600      -2.420400     -0.2182000    
 C   -2.794000      -1.747400      0.2130000    
 C   -4.167300      -1.572800      4.2500000E-02
 C   -4.480700       2.766900     -0.9818000    
 H    1.750700       1.140600     -0.1805000    
 H    5.176500      -1.473900      9.1899998E-02
 H    1.272800      -3.113400     -0.5350000    
 H   -1.873100       1.509400      0.5644000    
 H    3.708200      -3.419500     -0.2337000    
 H   -2.377000      -2.751000      0.1990000    
 H   -4.799800      -2.444800     -0.1026000    
 H   -6.513500      0.7972000     -8.8399999E-02
 H   -6.698300     -0.9373000     -0.2471000    
 H    4.328700       2.082700      -1.884100    
 H   -5.094400       2.209900      -1.696700    
 H   -3.478400       2.925500      -1.392400    
 H   -4.945100       3.741500     -0.8082000    


%chk=000067311-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000067311

0 1
S 5.267015 -0.546825 -1.670785
O -5.619490 0.552969 0.952579
O 5.339369 -2.386751 -1.398642
O 4.812748 -0.273876 -3.199315
O 6.634311 0.102610 -1.097842
N 0.173150 -0.044672 -0.696581
N -0.801456 0.163595 0.165720
N -6.145290 0.180751 -1.622925
C 3.848496 -0.234973 -0.486141
C 2.549105 -0.266488 -1.003268
C 1.476658 -0.008257 -0.107509
C 4.169557 0.036364 0.853686
C -2.103967 0.147359 -0.380153
C -4.488491 0.361842 0.134815
C -4.815855 0.163405 -1.251109
C 1.758445 0.265588 1.263790
C -3.158257 0.355381 0.561903
C 3.086048 0.290507 1.731155
C -2.418813 -0.051887 -1.757304
C -3.753001 -0.042271 -2.180050
C -5.385130 0.760784 2.383112
H 2.342792 -0.467118 -2.058902
H 5.210176 0.062891 1.190071
H 0.915280 0.461142 1.932899
H -2.879030 0.505111 1.608686
H 3.291999 0.507568 2.784527
H -1.598919 -0.208881 -2.463740
H -3.998137 -0.193557 -3.237994
H -6.852706 0.333548 -0.906885
H -6.424681 0.045533 -2.590217
H 6.067173 -2.745605 -1.985785
H -4.782231 1.672493 2.557518
H -4.876290 -0.113539 2.832281
H -6.383080 0.882060 2.828905


