%chk=000005495.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005495

0 1
 S  -0.1074000      0.7260000      -1.766400    
 O    2.782000       1.277200     -1.7999999E-02
 O  -0.9741000      -3.454100       1.004800    
 O    3.336700      -1.972600      0.7621000    
 N    1.704800     -0.7691000     -0.4056000    
 N    1.177000      -2.682200      0.8692000    
 C   -2.073500      -1.475300     -0.5830000    
 C  -0.5941000      -1.486200     -0.2859000    
 C   0.3478000     -0.6310000     -0.7456000    
 C   -2.471800      -2.767800      -1.280800    
 C   -2.871300      -1.269800      0.6977000    
 C  -0.1686000      -2.629600      0.5780000    
 C    2.673100      0.1977000     -0.9335000    
 C    2.160900      -1.807800      0.4262000    
 C   -1.200900       1.540400     -0.6239000    
 C    3.683900       2.270100     -0.4879000    
 C  -0.7220000       1.982500      0.6113000    
 C   -2.541800       1.740600     -0.9591000    
 C    3.756900       3.390300      0.5277000    
 C   -1.579600       2.621300       1.506900    
 C   -3.399500       2.379500     -6.3699998E-02
 C   -2.918300       2.819900       1.169400    
 H   -2.344900     -0.7080000      -1.300500    
 H   -2.582000      -3.629500     -0.6174000    
 H   -1.768600      -3.032600      -2.079000    
 H   -3.453400      -2.637100      -1.754100    
 H   -2.456600     -0.4725000       1.321800    
 H   -2.947600      -2.168900       1.316300    
 H   -3.900700     -0.9869000      0.4478000    
 H    2.449600      0.5240000      -1.953900    
 H    3.650500     -0.2982000     -0.9858000    
 H    1.484200      -3.445100       1.465900    
 H    4.678400       1.831600     -0.6269000    
 H    3.331700       2.665600      -1.447100    
 H   0.3165000       1.847500      0.8994000    
 H   -2.935500       1.422800      -1.921600    
 H    4.443000       4.174700      0.1964000    
 H    2.766900       3.830400      0.6874000    
 H    4.095700       3.010200       1.497100    
 H   -1.204800       2.965400       2.466400    
 H   -4.441100       2.537400     -0.3277000    
 H   -3.585900       3.318100       1.866300    


%chk=000005495-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000005495

0 1
S -0.361391 0.562722 -1.926075
O 2.527552 1.300712 -0.043107
O -0.674012 -3.705657 1.174008
O 3.527641 -1.911360 0.349086
N 1.662375 -0.825045 -0.617016
N 1.388991 -2.764500 0.708558
C -2.107896 -1.757453 -0.517776
C -0.600256 -1.735232 -0.277444
C 0.257256 -0.789011 -0.814216
C -2.556351 -3.072520 -1.213158
C -2.897589 -1.514175 0.797996
C -0.025088 -2.794592 0.579447
C 2.560631 0.241533 -1.059434
C 2.282979 -1.844617 0.164127
C -1.271424 1.644207 -0.717276
C 3.620940 2.278056 -0.231582
C -0.644868 2.107743 0.460888
C -2.588097 2.032338 -1.051846
C 3.496436 3.323329 0.875498
C -1.368146 2.959569 1.327171
C -3.291386 2.903612 -0.187108
C -2.686763 3.361313 1.006162
H -2.339355 -0.926180 -1.207203
H -2.372704 -3.943894 -0.563633
H -2.021351 -3.223689 -2.168931
H -3.639045 -3.023230 -1.432738
H -2.614456 -0.551438 1.260553
H -2.710158 -2.325956 1.520164
H -3.981123 -1.483361 0.579794
H 2.223503 0.634419 -2.034739
H 3.575831 -0.191069 -1.126131
H 1.806810 -3.504265 1.282057
H 4.594796 1.746230 -0.174860
H 3.534007 2.747605 -1.235440
H 0.389861 1.822097 0.680456
H -3.060200 1.655489 -1.965421
H 4.304982 4.071366 0.787308
H 2.527443 3.847770 0.808415
H 3.569531 2.844620 1.867013
H -0.894150 3.315964 2.248558
H -4.311933 3.209668 -0.441773
H -3.238225 4.025779 1.680348


