%chk=000002179.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002179

0 1
 S   -5.757400      0.2383000     -0.7903000    
 O   -1.614900     -0.6971000       2.757800    
 O   -7.061500     -0.2725000      -1.169700    
 O   -5.566500      0.8946000      0.4878000    
 N   0.5819000     -0.2542000       1.055900    
 N    4.269400      0.4379000     -0.8128000    
 N   -4.595200      -1.011900      -1.020000    
 C    1.832500     -1.9500000E-02  0.4222000    
 C    2.638800      -1.102400      5.7300001E-02
 C    2.245800       1.292300      0.1688000    
 C    3.866500     -0.8238000     -0.5666000    
 C    3.488900       1.477300     -0.4595000    
 C  -0.7107000     -0.4434000      0.5499000    
 C    2.248300      -2.431000      0.2997000    
 C    1.455600       2.399200      0.5246000    
 C   -1.796200     -0.6625000       1.407200    
 C   -3.283700     -0.8194000     -0.4901000    
 C  -0.9267000     -0.4145000     -0.8334000    
 C    4.673800      -1.897600     -0.9322000    
 C    3.905900       2.781000     -0.7144000    
 C   -3.077600     -0.8497000      0.8891000    
 C   -2.208100     -0.6018000      -1.351300    
 C    3.073600      -3.486800     -7.5700000E-02
 C    1.895400       3.692500      0.2586000    
 C    4.288900      -3.219100     -0.6929000    
 C    3.123200       3.883400     -0.3622000    
 C   -5.255900       1.371700      -2.066400    
 C   -1.734400      0.5388000       3.458700    
 H   0.6601000     -0.3249000       2.066200    
 H    1.306900      -2.675600      0.7847000    
 H   0.4925000       2.286000       1.015300    
 H  -0.1092000     -0.2467000      -1.529900    
 H    5.630900      -1.713900      -1.417200    
 H    4.864300       2.956900      -1.199900    
 H   -3.908200      -1.032300       1.566800    
 H   -2.357400     -0.5750000      -2.427600    
 H    2.770400      -4.511900      0.1135000    
 H    1.283900       4.545700      0.5353000    
 H    4.940600      -4.035600     -0.9896000    
 H    3.476000       4.888500     -0.5740000    
 H   -4.608800      -1.454900      -1.948600    
 H   -5.276400      0.8565000      -3.028500    
 H   -5.967200       2.200700      -2.077000    
 H   -4.257000       1.749400      -1.842300    
 H   -2.749200      0.9372000       3.359700    
 H   -1.007800       1.269100       3.088900    
 H   -1.534000      0.3528000       4.517300    


%chk=000002179-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000002179

0 1
S -5.887453 0.967087 -0.500366
O -1.418843 -0.992230 2.420332
O -7.339389 0.860776 -1.232250
O -5.749859 0.877768 1.124677
N 0.595977 -0.419942 0.842139
N 4.481857 0.384160 -0.835051
N -4.657301 -0.592665 -1.241389
C 1.856137 -0.135107 0.258017
C 2.900779 -1.107433 0.382462
C 2.135591 1.112445 -0.385986
C 4.213298 -0.781945 -0.166810
C 3.471728 1.303573 -0.947586
C -0.668432 -0.391468 0.244774
C 2.711065 -2.394695 0.996803
C 1.201776 2.205656 -0.451346
C -1.785902 -0.719028 1.091508
C -3.330503 -0.481866 -0.791519
C -0.916597 -0.122055 -1.128319
C 5.283041 -1.734151 -0.025457
C 3.771873 2.537626 -1.626716
C -3.086795 -0.778144 0.588234
C -2.228542 -0.128589 -1.630364
C 3.769645 -3.293364 1.110503
C 1.538665 3.394296 -1.093205
C 5.071753 -2.955849 0.605779
C 2.828922 3.556476 -1.705987
C -5.124053 2.681510 -0.986963
C -2.496534 -1.315810 3.366278
H 0.592135 -0.826884 1.783817
H 1.716728 -2.684196 1.354161
H 0.222018 2.102306 0.023286
H -0.077533 0.096905 -1.793730
H 6.256129 -1.452609 -0.438992
H 4.774467 2.636354 -2.053633
H -3.943680 -1.039861 1.212618
H -2.404774 0.100596 -2.688515
H 3.608382 -4.272033 1.575383
H 0.819610 4.220192 -1.124177
H 5.892836 -3.673670 0.707609
H 3.070636 4.494435 -2.217551
H -4.750944 -0.445154 -2.268486
H -5.253072 2.786857 -2.072848
H -5.707633 3.421689 -0.421959
H -4.070414 2.656780 -0.676291
H -3.005839 -2.253401 3.075174
H -3.231080 -0.491401 3.416265
H -1.999777 -1.442139 4.338878


