%chk=000005232.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005232

0 1
 S   -2.091600      -1.923300      0.9768000    
 O   -1.912100       2.232500      -1.600700    
 O    1.315500      0.1810000      -1.516900    
 O  -0.9079000       2.811300      0.3476000    
 O   -1.902000      -3.419500     -0.9194000    
 N   7.5900003E-02  0.2660000      0.4461000    
 N   -2.092600      -2.217700     -0.7077000    
 C   -2.394700     -0.1254000      0.6728000    
 C   -1.221200      0.4464000     -0.1638000    
 C   -3.761200      1.0000000E-03 -1.8400000E-02
 C   -2.463500      0.5415000       2.056100    
 C    2.456300     -2.9500000E-02  0.6073000    
 C    1.245000      0.1476000     -0.2914000    
 C    3.755600     -0.1621000     -0.1838000    
 C   -1.322900       1.943800     -0.4110000    
 C    4.960900     -0.3000000      0.7450000    
 C    6.260400     -0.3937000     -3.8500000E-02
 H   -1.176100     -2.4999999E-03  -1.163600    
 H   -4.548500     -0.5439000      0.5163000    
 H   -4.074700       1.052100     -4.3000001E-02
 H   -3.754900     -0.3330000      -1.061300    
 H   -2.660300       1.615800       1.971500    
 H   -1.547300      0.4197000       2.642800    
 H   -3.285200      0.1273000       2.654600    
 H   0.1475000      0.2878000       1.458300    
 H    2.512600      0.8369000       1.277300    
 H    2.299600     -0.9232000       1.223100    
 H    3.885800      0.7171000     -0.8274000    
 H    3.697200      -1.033200     -0.8482000    
 H    5.011800      0.5620000       1.420500    
 H    4.849800      -1.194700       1.368400    
 H    6.417600      0.5029000     -0.6466000    
 H    6.255600      -1.263500     -0.7033000    
 H    7.109100     -0.4934000      0.6453000    
 H   -1.964500       3.199500      -1.757300    


%chk=000005232-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005232

0 1
S -1.551803 -1.900139 0.698365
O -2.551865 2.489341 -1.296120
O 1.042201 -0.518806 -1.209510
O -1.424546 3.137845 0.624428
O -0.899848 -3.028685 -1.791678
N 0.086850 0.793766 0.455092
N -1.340305 -1.985833 -1.328969
C -2.285123 -0.116199 0.636681
C -1.249476 0.791592 -0.142612
C -3.647450 -0.172177 -0.084761
C -2.438931 0.308554 2.112358
C 2.502382 0.350321 0.586422
C 1.168960 0.160518 -0.145173
C 3.663555 -0.431928 -0.056979
C -1.727203 2.245229 -0.201302
C 5.003984 -0.197445 0.674330
C 6.171004 -0.981233 0.036048
H -1.157904 0.395789 -1.168579
H -4.304486 -0.904776 0.414518
H -4.146727 0.813829 -0.063545
H -3.529169 -0.472798 -1.139492
H -2.852082 1.332380 2.179494
H -1.473203 0.286724 2.646828
H -3.131435 -0.373783 2.634909
H 0.238448 1.405632 1.261031
H 2.744028 1.433607 0.608161
H 2.375387 0.038799 1.643640
H 3.756411 -0.138794 -1.119587
H 3.419906 -1.511236 -0.060132
H 5.242088 0.886450 0.671412
H 4.901463 -0.491018 1.739597
H 6.314766 -0.686141 -1.020291
H 5.973627 -2.069461 0.054638
H 7.121304 -0.800004 0.570929
H -2.839810 3.443683 -1.292652


