%chk=000005334.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005334

0 1
 S  -0.2868000      -3.127600     -0.3713000    
 O   0.2213000      -4.373800      0.1900000    
 O  -0.6968000      -3.103300      -1.770100    
 O    3.376400       2.638600      -1.206000    
 O   -3.823100       3.080200      -1.142600    
 O   -3.332800       3.501100      0.9555000    
 N   -1.587900      -2.586100      0.6200000    
 N    3.836400       1.050100      0.4743000    
 N   -3.384200       2.718600     -2.4100000E-02
 C   0.9271000      -1.898000     -0.1228000    
 C   -2.046200      -1.232900      0.4556000    
 C   0.9657000     -0.7778000     -0.9531000    
 C    1.858400      -2.035600      0.9063000    
 C    2.866900      6.7100003E-02  0.2751000    
 C    1.935700      0.2047000     -0.7543000    
 C    2.828300      -1.053100       1.105400    
 C   -2.535400     -0.8182000     -0.7772000    
 C   -1.995000     -0.3548000       1.531500    
 C   -2.931900       1.382300      0.1383000    
 C   -2.979800      0.4943000     -0.9365000    
 C   -2.439500      0.9577000       1.372300    
 C    4.030200       2.234000     -0.2501000    
 C    5.192800       3.032500      0.2836000    
 H   -1.584400      -2.924500       1.591300    
 H   0.2580000     -0.6526000      -1.767200    
 H    1.842700      -2.895400       1.570100    
 H    1.903600       1.041300      -1.438100    
 H    3.546600      -1.172300       1.912600    
 H   -2.611700      -1.496800      -1.620400    
 H   -1.611000     -0.6760000       2.496000    
 H   -3.362800      0.7885000      -1.910300    
 H   -2.386400       1.621700       2.231300    
 H    4.478700      0.8766000       1.244800    
 H    4.995500       3.325200       1.318700    
 H    5.332300       3.933300     -0.3204000    
 H    6.106200       2.432400      0.2409000    


%chk=000005334-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005334

0 1
S -0.199270 -2.502005 0.014213
O 0.131391 -3.926619 0.729278
O -0.860656 -2.387881 -1.465658
O 4.685717 2.186712 -1.847243
O -5.181537 2.988585 -0.774463
O -6.694291 1.716707 0.370575
N -1.356854 -1.683522 1.359855
N 4.825691 0.903600 0.114271
N -5.497958 1.956340 -0.061090
C 1.327509 -1.423433 0.042299
C -2.392809 -0.821415 0.950228
C 1.544988 -0.545784 -1.031708
C 2.221929 -1.564390 1.117177
C 3.633638 0.140886 0.044867
C 2.710008 0.247023 -1.034023
C 3.381346 -0.770968 1.111337
C -2.095636 0.339081 0.175145
C -3.737646 -1.058802 1.367056
C -4.431320 0.997527 0.283062
C -3.111464 1.241873 -0.166077
C -4.753333 -0.143001 1.053860
C 5.303318 1.864342 -0.793749
C 6.635827 2.496291 -0.407883
H -1.662619 -2.510070 1.905616
H 0.833135 -0.501006 -1.862818
H 2.027335 -2.280420 1.920848
H 2.918503 0.937852 -1.852297
H 4.097338 -0.860492 1.937299
H -1.064929 0.534162 -0.134395
H -3.974992 -1.961056 1.942464
H -2.906750 2.137400 -0.758300
H -5.786916 -0.300066 1.372582
H 5.413089 0.729457 0.932889
H 6.503724 3.588968 -0.329298
H 7.364198 2.315496 -1.216922
H 7.057395 2.120030 0.540102


