%chk=000002558.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002558

0 1
 S    3.323100     -0.9396000     -0.5404000    
 O    3.802300      -2.299800      0.2195000    
 O    4.488600     -0.1322000     -0.8392000    
 O    2.351500      -1.287500      -1.557700    
 O   -2.472600       2.629800     -0.6807000    
 O   -4.326200      -1.574000       1.017800    
 N    1.933400       1.119500      0.5382000    
 N   -3.403500      0.1201000     -0.2868000    
 N   -3.721900      -1.977600      -1.140300    
 C    2.465500     -0.2104000      0.8297000    
 C    1.211700      -1.029900       1.193700    
 C   6.8499997E-02 -0.2165000      0.6480000    
 C   0.5696000       1.105200      0.3225000    
 C    2.832000       2.230500      0.3167000    
 C   -1.194300     -0.6134000      0.4770000    
 C  -0.2379000       2.075900     -0.1209000    
 C   -2.161300      0.3763000     -4.6100002E-02
 C   -1.675500       1.780700     -0.3113000    
 C   -3.852900      -1.157300     -3.9600000E-02
 H    3.167400     -0.1725000       1.670700    
 H    1.116600      -1.075500       2.286000    
 H    1.216900      -2.054600      0.8099000    
 H    2.414900       3.156900      0.7255000    
 H    3.009300       2.373300     -0.7540000    
 H    3.796000       2.065800      0.8094000    
 H   -1.497700      -1.619300      0.7355000    
 H   0.1165000       3.069400     -0.3672000    
 H    4.510800      -2.181800      0.8951000    
 H   -4.010000      -2.949700      -1.110900    
 H   -3.332500      -1.634600      -2.012100    


%chk=000002558-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002558

0 1
S 3.676974 -1.091369 -0.437319
O 5.201267 -0.712004 0.657557
O 3.713684 -0.064623 -1.705716
O 3.650649 -2.689165 -0.756325
O -2.259928 2.435703 -1.211321
O -3.753677 -2.125174 0.571388
N 1.950841 0.997925 0.815642
N -3.318216 -0.054105 -0.635115
N -5.090180 -1.396670 -1.203710
C 2.394093 -0.217196 1.291871
C 1.216553 -1.172042 1.415205
C 0.102392 -0.414033 0.707434
C 0.611521 0.920786 0.361370
C 2.816749 2.170647 0.602377
C -1.175222 -0.791455 0.404606
C -0.134493 1.885176 -0.271365
C -2.068596 0.166488 -0.276402
C -1.526715 1.579491 -0.629727
C -4.019097 -1.285779 -0.343364
H 3.279473 -0.247674 1.933694
H 0.978739 -1.348889 2.482763
H 1.428282 -2.161980 0.970610
H 2.328743 3.074353 1.004338
H 3.013028 2.291195 -0.477472
H 3.777704 2.006954 1.112409
H -1.581841 -1.771109 0.670626
H 0.248702 2.872308 -0.543524
H 6.023029 -1.027667 0.186015
H -5.690452 -2.217570 -1.156428
H -5.285706 -0.635322 -1.852116


