%chk=000002654.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002654

0 1
 S   -2.831900      -2.877500     -5.7700001E-02
 S    2.321100       2.561600       1.839200    
 O   -2.684500       1.489000      -1.730500    
 O   -4.373800       2.097800      0.2830000    
 O   0.9200000      -2.351600     -0.8986000    
 O   -6.351000      0.9649000      0.4770000    
 O    6.702800     -0.9952000      0.7332000    
 O    4.740300      -1.960300       1.341400    
 N   -3.107500     -0.2253000     -0.1731000    
 N  -2.9800000E-02 -0.2388000      -1.028000    
 N    2.340200       1.934800     -0.6686000    
 N    2.324800       4.254700     -0.2122000    
 C   -2.083400      -1.230700      5.6200001E-02
 C   -1.419500     -0.6904000      -1.223900    
 C   -2.462800      0.4578000      -1.140700    
 C   -4.273400     -0.1895000      0.5100000    
 C   -4.010700      -2.580500       1.311600    
 C   -4.703900      -1.241100       1.228900    
 C    1.024200      -1.127100     -0.8817000    
 C   -5.134000      0.9914000      0.4254000    
 C    2.353400     -0.4756000     -0.6284000    
 C    2.341500      0.7824000      6.9100000E-02
 C    3.458700      -1.152100      -1.000400    
 C    4.883600     -0.7380000     -0.7667000    
 C    2.332300      0.8967000       1.428300    
 C    2.329800       2.949200      0.1676000    
 C    5.393500      -1.307000      0.5396000    
 H   -1.523300      -1.050400      0.9825000    
 H   -1.530100      -1.290400      -2.134800    
 H   0.1601000      0.7602000      -1.023700    
 H   -3.485800      -2.665200       2.268400    
 H   -4.761400      -3.375800       1.268400    
 H   -5.642600      -1.176900       1.775800    
 H    3.350300      -2.111700      -1.503900    
 H   -4.916500       2.912700      0.2218000    
 H    4.980800      0.3520000     -0.7349000    
 H    5.503900      -1.115700      -1.586400    
 H    2.331600      0.1267000       2.187400    
 H    2.329300       4.526800      -1.189700    
 H    2.316400       5.008900      0.4666000    
 H    7.042800      -1.356800       1.579300    


%chk=000002654-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002654

0 1
S -2.913524 -2.869470 0.552060
S 3.333332 2.961654 1.789296
O -2.366861 0.762388 -2.344941
O -4.381468 2.207882 -0.643680
O 1.235502 -2.347255 -1.044343
O -6.476355 1.234080 -0.367658
O 6.519594 -2.428663 -0.216403
O 6.082656 -0.771783 1.347090
N -3.093269 -0.174239 -0.193978
N 0.140323 -0.369441 -0.486769
N 1.571594 1.799862 0.154550
N 0.888513 3.979393 0.858534
C -2.161477 -1.133550 0.446769
C -1.165889 -0.913960 -0.752576
C -2.245936 0.068316 -1.326445
C -4.463554 -0.063693 0.108791
C -4.517304 -2.287555 1.398414
C -5.111687 -1.017315 0.852042
C 1.280786 -1.132043 -0.673183
C -5.227040 1.145221 -0.324658
C 2.607574 -0.415076 -0.423244
C 2.650561 0.883496 0.292566
C 3.706015 -1.068445 -0.919776
C 5.141307 -0.583736 -0.941628
C 3.667310 1.310864 1.137183
C 1.757820 2.918299 0.838872
C 5.946937 -1.222381 0.185610
H -1.808704 -0.816433 1.439708
H -1.057634 -1.826207 -1.368207
H 0.291181 0.641868 -0.274911
H -4.320824 -2.193334 2.483275
H -5.224226 -3.125729 1.264898
H -6.167673 -0.823727 1.076493
H 3.510380 -2.045940 -1.379498
H -4.925081 2.965394 -0.990862
H 5.193098 0.511197 -0.815780
H 5.603341 -0.873674 -1.900389
H 4.550349 0.770506 1.480062
H 0.059860 3.941030 0.268011
H 1.051046 4.795644 1.440169
H 6.994928 -2.849446 0.551333


