%chk=000090126.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090126

0 1
 S    1.686700       1.094200      -1.780400    
 P    2.666200      0.4127000     -5.0500002E-02
 P   -3.927700     -0.4512000     -0.1039000    
 O  -0.7445000       2.421500     -0.4332000    
 O    3.370600      -1.018800     -0.3646000    
 O    1.590300      3.8199998E-02   1.109300    
 O   -2.622800      0.4669000      0.1870000    
 O    3.658200       1.442700      0.4248000    
 O   -3.166300      -1.859500     -0.3642000    
 N   -4.394100     -0.7301000       1.506900    
 C    1.379800       2.848100      -1.492300    
 C   0.5115000       3.065300     -0.2631000    
 C   -1.552000       2.537900      0.7303000    
 C   -2.873400       1.834400      0.4880000    
 C    4.048300      -1.690700      0.6835000    
 C   0.5735000     -0.9151000      0.8531000    
 C    4.615500      -2.989300      0.1511000    
 C  -0.2804000      -1.070600       2.093500    
 C   -2.602000      -2.038900      -1.655900    
 C   -1.937200      -3.397500      -1.719300    
 H   0.8748000       3.241300      -2.380400    
 H    2.335100       3.369600      -1.382100    
 H   0.3422000       4.141200     -0.1361000    
 H    1.009800       2.698800      0.6414000    
 H   -1.031400       2.073200       1.574000    
 H   -1.729000       3.595300      0.9564000    
 H   -3.379400       2.306600     -0.3642000    
 H   -3.499300       1.936700       1.382600    
 H    3.355500      -1.894100       1.505000    
 H    4.855600      -1.052200       1.055800    
 H    1.023400      -1.875200      0.5849000    
 H  -4.4500001E-02 -0.5756000      1.8400000E-02
 H    3.815600      -3.627800     -0.2382000    
 H    5.303000      -2.798300     -0.6795000    
 H    5.150900      -3.532400      0.9349000    
 H   0.3288000      -1.415600       2.935600    
 H  -0.7177000     -0.1142000       2.393000    
 H   -1.085100      -1.791700       1.925500    
 H   -1.851500      -1.264700      -1.859800    
 H   -3.384500      -1.986200      -2.423500    
 H   -1.153300      -3.478100     -0.9587000    
 H   -2.662200      -4.192200      -1.514700    
 H   -1.492500      -3.570200      -2.703400    
 H   -5.094700      -1.468200       1.558700    
 H   -4.829100      9.6799999E-02   1.913100    


%chk=000090126-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090126

0 1
S 1.409304 0.399852 -1.781590
P 2.593541 0.127701 0.159445
P -4.167692 -0.607227 0.104711
O -0.944436 2.288382 -0.658654
O 3.008916 -1.540532 -0.080985
O 1.474324 0.121002 1.481487
O -3.012256 0.640173 0.762272
O 3.776465 1.151767 0.443595
O -2.945646 -1.702297 -0.563176
N -4.401886 -1.628206 1.474190
C 1.279074 2.294476 -1.651131
C 0.419757 2.795704 -0.495221
C -1.822439 2.733825 0.430097
C -3.166749 2.028791 0.303710
C 4.244144 -2.065981 0.582231
C 0.204653 -0.676646 1.382036
C 4.369508 -3.518141 0.133285
C -0.376361 -0.714406 2.790857
C -2.190239 -1.240120 -1.757362
C -1.265690 -2.388777 -2.154484
H 0.844567 2.588176 -2.621462
H 2.303963 2.691609 -1.566819
H 0.420056 3.910526 -0.520126
H 0.836424 2.475273 0.483812
H -1.371646 2.492454 1.416597
H -1.970992 3.836432 0.368646
H -3.513068 2.081416 -0.749211
H -3.904517 2.555904 0.944307
H 4.129906 -1.981937 1.680044
H 5.109505 -1.455934 0.264128
H 0.444806 -1.689022 1.005915
H -0.475645 -0.166732 0.678734
H 3.487629 -4.102673 0.445726
H 4.458668 -3.577940 -0.964483
H 5.270841 -3.973070 0.584746
H 0.294899 -1.242426 3.489670
H -0.547810 0.308711 3.165764
H -1.354482 -1.227718 2.762935
H -1.613830 -0.329434 -1.506007
H -2.901858 -1.003969 -2.576514
H -0.557942 -2.615257 -1.338487
H -1.847009 -3.299520 -2.380302
H -0.676898 -2.108905 -3.047128
H -3.669278 -2.275600 1.768798
H -5.241882 -1.566706 2.044204


