%chk=000087260.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087260

0 1
 S   0.7398000     -6.3800000E-02  -2.098800    
 S    3.747000      -1.508800     -0.9880000    
 P    2.054700     -0.6308000     -0.5156000    
 O    1.180900      -1.512900      0.5490000    
 O    2.288100      0.6914000      0.4182000    
 N  -0.4474000       1.433000     -0.2335000    
 N   -1.806100     -0.2391000      -1.312900    
 C   0.7143000      -2.804900      0.1969000    
 C  -6.1200000E-02  -3.384200       1.370200    
 C   -1.263800      -2.529900       1.729100    
 C    3.026000       1.796900     -7.6700002E-02
 C  -0.6559000      0.4301000      -1.107200    
 C   -1.524800       1.781800      0.5000000    
 C   -2.841800      0.1610000     -0.5463000    
 C   -2.759000       1.175300      0.3856000    
 C    3.083200       2.869000      0.9906000    
 C   -1.337900       2.889800       1.481300    
 C   -4.136300     -0.5541000     -0.7419000    
 H    1.564000      -3.454900     -3.0700000E-02
 H   7.7500001E-02  -2.740300     -0.6904000    
 H  -0.3909000      -4.400200       1.127700    
 H   0.5936000      -3.446300       2.247300    
 H   -1.957900      -2.462300      0.8861000    
 H   -1.802900      -2.974600       2.571800    
 H  -0.9697000      -1.516300       2.018900    
 H    4.041200       1.481800     -0.3329000    
 H    2.541500       2.189300     -0.9753000    
 H   -3.607400       1.475500      0.9884000    
 H    3.648000       3.738000      0.6415000    
 H    2.075800       3.192200       1.268900    
 H    3.555500       2.482600       1.899900    
 H  -0.3375000       3.325100       1.398500    
 H   -2.065100       3.687800       1.300400    
 H   -1.463000       2.516400       2.502500    
 H   -4.449800      -1.035100      0.1901000    
 H   -4.913800      0.1462000      -1.062900    
 H   -4.044300      -1.331300      -1.507800    


%chk=000087260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000087260

0 1
S 0.690054 -0.152613 -2.156603
S 3.908265 -1.482901 -1.164451
P 2.131783 -0.741374 -0.420169
O 1.170179 -1.731589 0.618623
O 2.167834 0.581709 0.684042
N -0.508460 1.784533 -0.629777
N -1.817880 -0.221436 -1.065531
C 0.847355 -3.110564 0.144027
C 0.074657 -3.784701 1.279588
C -1.270620 -3.096916 1.591079
C 2.826346 1.846494 0.229595
C -0.701403 0.546590 -1.158815
C -1.551337 2.312020 0.092676
C -2.872819 0.312355 -0.363464
C -2.762421 1.590919 0.237750
C 2.985017 2.701255 1.482710
C -1.330154 3.674160 0.701285
C -4.113872 -0.537725 -0.260123
H 1.792545 -3.641290 -0.080985
H 0.233184 -3.032479 -0.774457
H -0.094911 -4.838598 0.979262
H 0.713679 -3.804871 2.182237
H -1.919844 -3.082218 0.695133
H -1.806431 -3.625675 2.400086
H -1.103142 -2.052627 1.905648
H 3.803979 1.602220 -0.229468
H 2.162375 2.321878 -0.514818
H -3.596153 2.012694 0.805555
H 3.450558 3.668424 1.216628
H 2.001392 2.901058 1.941843
H 3.622768 2.195778 2.227084
H -1.067393 4.404858 -0.084245
H -2.221213 4.032794 1.241527
H -0.477345 3.638224 1.403446
H -3.894261 -1.453766 0.318820
H -4.940970 0.000769 0.230330
H -4.436743 -0.863990 -1.264069


