%chk=000003017.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003017

0 1
 S    1.779100      0.7984000       2.300500    
 P    1.905100      0.1338000      0.4713000    
 O   0.9111000      -1.079200      5.9900001E-02
 O    1.579900       1.215300     -0.7021000    
 O    3.350000     -0.4298000     -2.0199999E-02
 N   -1.034300      0.1708000      0.2345000    
 N   -3.171600     -0.8454000     -0.2205000    
 C   -3.054800       1.480300      0.4184000    
 C   -2.376500      0.1851000      0.1254000    
 C   -2.633700       2.598900     -0.5535000    
 C   -2.838700       1.943000       1.871800    
 C  -0.4528000      -1.016300     -3.7400000E-02
 C   -2.525300      -2.001400     -0.4785000    
 C   -1.155300      -2.147300     -0.4021000    
 C   -3.368600      -3.169500     -0.8656000    
 C    2.255200       2.461800     -0.7198000    
 C    3.857000      -1.637000      0.5229000    
 C    1.769300       3.269000      -1.904700    
 C    5.205000      -1.930500     -0.1003000    
 H   -4.136100       1.337100      0.2883000    
 H   -1.568500       2.835600     -0.4543000    
 H   -3.203600       3.514100     -0.3613000    
 H   -2.814000       2.298800      -1.591600    
 H   -3.164400       1.170500       2.577200    
 H   -3.412100       2.853100       2.077600    
 H   -1.782800       2.155200       2.072500    
 H  -0.6589000      -3.086200     -0.6141000    
 H   -3.239500      -3.986700     -0.1487000    
 H   -4.429800      -2.900100     -0.8827000    
 H   -3.094200      -3.523000      -1.864600    
 H    2.046400       3.010800      0.2026000    
 H    3.333000       2.287900     -0.7942000    
 H    3.959900      -1.534900       1.607300    
 H    3.160300      -2.453400      0.3099000    
 H    2.271400       4.239400      -1.949000    
 H    1.956400       2.731100      -2.839900    
 H   0.6884000       3.432500      -1.843000    
 H    5.625800      -2.858200      0.2973000    
 H    5.115400      -2.020500      -1.188000    
 H    5.906000      -1.112200      9.4499998E-02


%chk=000003017-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003017

0 1
S 1.943724 0.528915 2.348281
P 2.106363 0.074350 0.346565
O 1.012827 -1.207602 -0.285336
O 2.072413 1.312676 -0.833178
O 3.546473 -0.679883 -0.197597
N -0.888551 0.159622 0.036466
N -3.109376 -0.787218 -0.187673
C -2.874387 1.594457 0.420488
C -2.261380 0.247606 0.072298
C -2.646894 2.608697 -0.732672
C -2.323551 2.127292 1.767117
C -0.364407 -1.053821 -0.250328
C -2.555048 -2.011091 -0.500369
C -1.156514 -2.192135 -0.533269
C -3.521329 -3.132964 -0.789999
C 1.501009 2.645427 -0.454136
C 4.031849 -1.890812 0.535350
C 1.408140 3.434419 -1.755556
C 5.426860 -2.175132 -0.011036
H -3.960124 1.412351 0.515649
H -1.568608 2.788565 -0.890479
H -3.127488 3.573332 -0.487659
H -3.078035 2.239816 -1.680792
H -2.567219 1.440784 2.597798
H -2.767329 3.113633 1.994662
H -1.224956 2.231638 1.730704
H -0.693766 -3.153411 -0.762091
H -4.180326 -3.298887 0.080878
H -4.176304 -2.858317 -1.636140
H -2.999278 -4.073391 -1.030246
H 0.513757 2.481377 0.012576
H 2.180989 3.121016 0.276194
H 4.046381 -1.672616 1.620917
H 3.329802 -2.721431 0.336419
H 1.015576 4.446882 -1.545961
H 2.401336 3.535227 -2.224662
H 0.731631 2.935000 -2.469427
H 5.842517 -3.075717 0.477735
H 5.390006 -2.352388 -1.099003
H 6.102416 -1.325364 0.183310


