%chk=000067218.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000067218

0 1
 S    3.841600      0.7324000     -6.2000002E-03
 O    3.723100       1.118000       1.574300    
 O    5.253800      0.6152000     -0.3188000    
 O    2.973800       1.615000     -0.7618000    
 N    1.101600       1.159100      0.4393000    
 N   -2.288000      -2.231700      0.4542000    
 C    1.781000      -1.203600      2.0199999E-02
 C    1.375000      -2.553300     -0.1069000    
 C   0.8169000     -0.2189000      0.2909000    
 C    3.139200     -0.8781000     -0.1275000    
 C  -0.9277000      -1.887500      0.3094000    
 C   1.6700000E-02  -2.878600      4.0399998E-02
 C  -0.5284000     -0.5602000      0.4343000    
 C    2.339200      -3.537700     -0.3780000    
 C    4.083700      -1.869200     -0.3965000    
 C    3.684300      -3.196500     -0.5214000    
 C   0.3503000       2.317300      0.1769000    
 C   -3.481900      -1.533300      0.1895000    
 C   0.5518000       3.472900      0.9365000    
 C  -0.6030000       2.319600     -0.8451000    
 C   -4.626100      -1.791200      0.9467000    
 C   -3.523900     -0.5817000     -0.8310000    
 C  -0.1944000       4.622300      0.6763000    
 C   -1.349200       3.469100      -1.105300    
 C   -1.144900       4.620400     -0.3446000    
 C   -5.808700      -1.099900      0.6838000    
 C   -4.706700      0.1096000      -1.093600    
 C   -5.849000     -0.1495000     -0.3361000    
 H  -0.3060000      -3.914200     -5.6899998E-02
 H   -1.266800      0.1896000      0.7057000    
 H    2.050000      -4.581700     -0.4796000    
 H    5.143900      -1.670000     -0.5139000    
 H    1.808800       1.318000       1.150700    
 H    4.419400      -3.968700     -0.7295000    
 H   -2.434800      -3.167100      0.8233000    
 H    1.289100       3.489600       1.735300    
 H  -0.7634000       1.449400      -1.475500    
 H   -4.607400      -2.528800       1.745000    
 H   -2.657300     -0.3769000      -1.453100    
 H    4.214200      0.5276000       2.192700    
 H  -3.5200000E-02   5.518800       1.268200    
 H   -2.084800       3.469800      -1.904400    
 H   -1.724800       5.515700     -0.5482000    
 H   -6.698200      -1.301500       1.273500    
 H   -4.739600      0.8462000      -1.891100    
 H   -6.770100      0.3880000     -0.5414000    


%chk=000067218-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000067218

0 1
S 4.013941 0.643227 -0.521060
O 3.806747 1.438244 1.206598
O 5.606299 0.429007 -0.716443
O 3.225873 1.545565 -1.600276
N 1.104756 1.110128 0.575886
N -2.372992 -2.334846 0.254305
C 1.773975 -1.222312 0.074863
C 1.344507 -2.622591 0.065233
C 0.745497 -0.214206 0.298874
C 3.181304 -1.031773 -0.121761
C -1.021476 -1.952990 0.190003
C -0.035783 -2.956407 0.103774
C -0.610210 -0.594683 0.325161
C 2.326010 -3.670628 -0.006954
C 4.132460 -2.050030 -0.198950
C 3.687261 -3.400538 -0.107015
C 0.338171 2.276523 0.327100
C -3.546444 -1.562012 0.064141
C 0.555320 3.413213 1.154365
C -0.578649 2.377733 -0.755133
C -4.757296 -2.038348 0.642157
C -3.579717 -0.377042 -0.721415
C -0.133331 4.618743 0.907195
C -1.270606 3.584037 -0.985755
C -1.058053 4.712498 -0.158729
C -5.966932 -1.342687 0.446976
C -4.794096 0.320056 -0.894952
C -5.994376 -0.151133 -0.315494
H -0.323311 -4.013412 0.054624
H -1.353969 0.168821 0.560480
H 1.973057 -4.707990 0.013418
H 5.187969 -1.810437 -0.358686
H 2.011801 1.280356 1.042338
H 4.420487 -4.211160 -0.152417
H -2.535584 -3.317211 0.483248
H 1.255082 3.340110 1.995359
H -0.710603 1.530507 -1.435419
H -4.741817 -2.949142 1.254378
H -2.674893 -0.018141 -1.218836
H 4.342636 2.281335 1.210747
H 0.046465 5.484341 1.554901
H -1.965002 3.649833 -1.831414
H -1.596804 5.647201 -0.345908
H -6.887692 -1.726322 0.900429
H -4.800650 1.233190 -1.500792
H -6.932229 0.395175 -0.458445


