%chk=000005358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005358

0 1
 S    3.117500       1.128100     -0.4074000    
 O    3.689800      0.2319000      -1.399900    
 O    1.997100       1.986900     -0.7588000    
 N   -1.629100      -3.131200     -0.4934000    
 N   -4.108500       2.153900     -1.6000001E-02
 N    4.352900       2.108600      0.2532000    
 C   -2.222500      -1.132600      0.2684000    
 C  -0.8023000      -1.216500      0.2985000    
 C   -3.044400      2.1199999E-02  0.6868000    
 C  -0.4561000      -2.480200     -0.1845000    
 C    1.557500     -0.7511000      0.5870000    
 C   -3.320100       1.009700     -0.4609000    
 C   0.2250000     -0.3357000      0.6914000    
 C   -2.702100      -2.325000     -0.2229000    
 C    2.651200      0.1765000       1.001900    
 C   0.8715000      -2.909100     -0.2945000    
 C    1.873400      -2.018400      0.1012000    
 C   -4.314800       3.096000      -1.117100    
 C   -3.454700       2.823000       1.109700    
 C    5.718600       1.564100      0.3574000    
 H   -3.998800     -0.3358000       1.096300    
 H   -2.517200      0.5033000       1.517100    
 H   -3.861700      0.4808000      -1.256200    
 H   -2.365300       1.337800     -0.8953000    
 H  -1.8100001E-02  0.6535000       1.069800    
 H   -3.709200      -2.673200     -0.4055000    
 H    3.524700     -0.3766000       1.360400    
 H    2.321000      0.8578000       1.792300    
 H   -1.688700      -4.068800     -0.8659000    
 H    1.118300      -3.895600     -0.6724000    
 H    2.911400      -2.334400      2.3700001E-02
 H   -4.824000       2.604600      -1.953700    
 H   -3.371500       3.515600      -1.485300    
 H   -4.960700       3.922900     -0.8011000    
 H   -3.954200       3.774600       1.329700    
 H   -2.398700       3.042400      0.9133000    
 H   -3.542300       2.243400       2.033800    
 H    4.087200       2.738300       1.021400    
 H    6.407500       2.383000      0.5835000    
 H    6.034200       1.105400     -0.5826000    
 H    5.771600      0.8352000       1.169800    


%chk=000005358-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005358

0 1
S 3.147466 1.073362 -0.207693
O 3.933526 0.212486 -1.351087
O 1.928168 2.090463 -0.595052
N -1.784526 -3.325152 -0.614913
N -3.880041 2.274058 -0.023916
N 4.448581 2.084891 0.756344
C -2.386448 -1.276951 0.222874
C -0.941434 -1.426577 0.324753
C -3.196278 -0.069700 0.624910
C -0.595069 -2.720353 -0.212763
C 1.430035 -1.045284 0.773361
C -3.021737 1.114645 -0.365644
C 0.087114 -0.594511 0.820382
C -2.859634 -2.453820 -0.353416
C 2.517279 -0.177139 1.266494
C 0.740651 -3.180837 -0.275280
C 1.743904 -2.330093 0.214470
C -4.021586 3.207926 -1.162368
C -3.441956 2.979365 1.198920
C 5.773808 2.101849 0.079522
H -4.272780 -0.316122 0.668580
H -2.899996 0.251057 1.642771
H -3.311789 0.763466 -1.373631
H -1.939837 1.399699 -0.423678
H -0.140721 0.398747 1.223255
H -3.881880 -2.738276 -0.596709
H 3.468678 -0.671664 1.507883
H 2.237642 0.572087 2.021204
H -1.865215 -4.248351 -1.035185
H 0.992722 -4.160008 -0.696116
H 2.792653 -2.642806 0.163164
H -4.424519 2.668494 -2.037988
H -3.057684 3.689499 -1.466183
H -4.734446 4.009845 -0.897574
H -4.134719 3.813576 1.409888
H -2.406875 3.400150 1.112811
H -3.465342 2.299389 2.067666
H 4.011831 3.026396 0.808211
H 5.837692 2.776058 -0.796918
H 6.014090 1.080648 -0.261187
H 6.524071 2.403788 0.833038


