%chk=000004326.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004326

0 1
 S    2.768500     -0.9329000       1.148600    
 O    3.206800      -1.415700       2.445000    
 O    3.324200      -1.490300     -7.0600003E-02
 O    4.491600       2.884600     -0.4619000    
 O   -3.823200      -2.091200       1.848000    
 O    7.347000      -1.403300      5.0400000E-02
 O    6.118800      -1.881400      -1.798400    
 O   -6.823600      -1.731500      -2.186400    
 O   -4.655100      -1.465000      -2.800400    
 O   -6.051400       3.719200     -0.6809000    
 O   -7.184100       2.535300      0.8886000    
 N    2.893600      0.7626000       1.102400    
 N    4.460000      0.8394000      -1.573400    
 N   -3.842600      -1.125500     -0.2600000    
 C    2.611600       1.449400     -0.1885000    
 C    1.772400       2.671600      0.1676000    
 C    2.101400       2.931200       1.628200    
 C    2.233500       1.527700       2.195500    
 C    3.950400       1.816500     -0.7356000    
 C    1.013300      -1.126300       1.074700    
 C   0.3755000      -1.238300     -0.1608000    
 C   0.2657000      -1.165700       2.251700    
 C    5.731500      0.9621000      -2.249100    
 C   -1.009900      -1.389700     -0.2193000    
 C   -1.119600      -1.317000       2.193200    
 C   -1.757500      -1.429000      0.9577000    
 C    6.878100      0.4029000      -1.416900    
 C   -3.201800      -1.586200      0.8961000    
 C   -5.272400      -1.189700     -0.4606000    
 C   -6.001500      4.9300000E-02  7.3299997E-02
 C    6.720500      -1.070300      -1.108600    
 C   -5.633500       1.380600     -0.5943000    
 C   -5.517500      -1.456800      -1.931400    
 C   -6.370500       2.573200     -2.3900000E-02
 H    2.067700      0.8330000     -0.9071000    
 H    1.962400       3.544800     -0.4640000    
 H   0.7075000       2.421900      7.8699999E-02
 H    1.329000       3.515800       2.136100    
 H    3.050700       3.471200       1.719400    
 H    1.237200       1.161900       2.435200    
 H    2.850500       1.519700       3.098100    
 H    3.931400     -1.5100000E-02  -1.722100    
 H   0.9370000      -1.224000      -1.090400    
 H   0.7403000      -1.084300       3.225600    
 H    5.642600      0.4234000      -3.198500    
 H    5.916600       2.018100      -2.472600    
 H   -1.461800      -1.505900      -1.200000    
 H   -1.684300      -1.341500       3.121500    
 H    6.933300      0.9503000     -0.4682000    
 H    7.827400      0.5345000      -1.946400    
 H   -5.635700      -2.071100      8.2900003E-02
 H   -5.810500      0.1359000       1.151200    
 H   -7.084200     -0.1014000     -2.9200001E-02
 H   -3.305200     -0.6474000     -0.9759000    
 H   -4.560900       1.569100     -0.4746000    
 H   -5.864700       1.329800      -1.664000    
 H    7.251400      -2.357700      0.2562000    
 H   -6.978400      -1.920200      -3.136500    
 H   -6.540400       4.492000     -0.3260000    


%chk=000004326-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004326

0 1
S 2.546050 -1.265572 0.645223
O 3.037624 -2.266204 1.822466
O 2.939636 -1.440972 -0.933989
O 4.622214 3.071836 -0.731444
O -4.204858 -1.010029 2.069279
O 8.412645 -0.399440 0.084320
O 6.979795 -1.464965 -1.398942
O -7.696214 -2.031329 -1.502093
O -5.583114 -2.158820 -2.459053
O -6.352218 3.474254 -1.826466
O -7.342220 2.940260 0.206084
N 3.249106 0.385617 1.060390
N 4.692067 0.861484 -1.467885
N -4.376693 -1.189821 -0.236616
C 2.896954 1.500711 0.101355
C 2.415204 2.654357 1.010068
C 3.123643 2.369584 2.359631
C 3.063744 0.829686 2.485371
C 4.159074 1.885855 -0.730953
C 0.646046 -1.223295 0.702906
C -0.048315 -0.907106 -0.477235
C 0.012260 -1.509679 1.925775
C 5.894513 1.068069 -2.288544
C -1.458452 -0.866989 -0.421094
C -1.395832 -1.456404 1.962651
C -2.138213 -1.139858 0.795288
C 7.193312 0.999472 -1.456198
C -3.641587 -1.104882 0.931933
C -5.845492 -1.209137 -0.193482
C -6.477565 0.197183 0.032605
C 7.475205 -0.404712 -0.958035
C -6.122684 1.202713 -1.075720
C -6.321547 -1.846188 -1.495422
C -6.679163 2.584732 -0.791249
H 2.113744 1.173622 -0.610858
H 2.709602 3.625941 0.584228
H 1.316885 2.618592 1.128818
H 2.635228 2.863729 3.215925
H 4.172459 2.709093 2.309867
H 2.079227 0.516372 2.894081
H 3.860663 0.403615 3.113124
H 4.288789 -0.086719 -1.375835
H 0.495974 -0.738042 -1.411704
H 0.600108 -1.799566 2.802434
H 5.910718 0.295738 -3.075337
H 5.828647 2.065626 -2.756172
H -2.009696 -0.600376 -1.329581
H -1.947207 -1.657732 2.886385
H 7.146668 1.697290 -0.603320
H 8.055944 1.317540 -2.075243
H -6.171923 -1.844231 0.653874
H -6.123313 0.563493 1.010817
H -7.572057 0.077418 0.107256
H -3.948738 -1.449449 -1.131423
H -5.025696 1.296067 -1.191180
H -6.506041 0.885593 -2.065410
H 8.581948 -1.337063 0.375003
H -7.982209 -2.447868 -2.359932
H -6.725550 4.373505 -1.617341


