%chk=000080814.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080814

0 1
 S    5.251700     -0.4677000      9.5700003E-02
 O   -4.857500     -0.2274000      0.2995000    
 O  -0.7593000       2.866300     -0.1591000    
 O    5.607200     -0.5412000       1.689900    
 O   -3.864800      -2.004800     -0.8240000    
 O    5.513100      -1.788400     -0.4586000    
 O    5.901400      0.7103000     -0.4578000    
 N  -0.5936000      0.5007000     -0.1567000    
 N   -1.449900     -0.5747000     -0.1973000    
 C   -2.702900       1.407800     -0.2494000    
 C   0.7814000      0.2730000     -9.6600004E-02
 C   -1.238000       1.744900     -0.1829000    
 C   -2.638800     -7.5400002E-02 -0.2495000    
 C    1.665600       1.350900     -5.5799998E-02
 C    1.271900      -1.032700     -7.8100003E-02
 C    3.531100     -0.1825000      2.1900000E-02
 C    3.040500       1.123200      3.4000000E-03
 C    2.646800      -1.260400     -1.8800000E-02
 C   -3.858800     -0.9025000     -0.3029000    
 C   -6.119000     -0.9008000      0.3367000    
 C   -7.128200     -1.8700000E-02   1.040300    
 H   -3.144400       1.781000      -1.175200    
 H   -3.216500       1.787300      0.6358000    
 H    1.364200       2.388800     -6.4800002E-02
 H   0.6159000      -1.898500     -0.1070000    
 H    3.710500       1.977600      4.2199999E-02
 H    3.006300      -2.285300      1.9000000E-03
 H   -6.454200      -1.104800     -0.6864000    
 H   -6.011900      -1.847200      0.8786000    
 H   -8.107000     -0.5040000       1.086400    
 H   -6.797400      0.2082000       2.059200    
 H   -7.232200      0.9389000      0.5194000    
 H    5.166200      -1.268900       2.188300    


%chk=000080814-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080814

0 1
S 5.359040 -0.606110 -0.210226
O -5.037827 -0.196277 0.259634
O -0.735793 2.978823 0.141719
O 5.646593 -0.691704 1.625710
O -3.835047 -2.208085 0.179712
O 5.594366 -2.080703 -0.833549
O 6.158289 0.673603 -0.795217
N -0.578817 0.582114 0.089883
N -1.465994 -0.518801 0.107156
C -2.748391 1.468766 0.198127
C 0.822116 0.319062 0.025988
C -1.265043 1.844395 0.142743
C -2.700190 -0.036413 0.168256
C 1.753657 1.392424 0.005405
C 1.261447 -1.031610 -0.023591
C 3.534431 -0.234041 -0.099958
C 3.132500 1.109122 -0.054975
C 2.637573 -1.314816 -0.084156
C -3.864181 -0.957919 0.200636
C -6.316086 -0.978650 0.298627
C -7.454510 0.033279 0.343903
H -3.300455 1.899380 -0.655646
H -3.226501 1.866982 1.110249
H 1.402907 2.425241 0.039158
H 0.524277 -1.836585 -0.010850
H 3.871799 1.915279 -0.081745
H 3.002596 -2.345019 -0.133848
H -6.349906 -1.621473 -0.599399
H -6.288341 -1.631960 1.189294
H -8.421983 -0.499784 0.373894
H -7.384107 0.670923 1.241501
H -7.445296 0.681608 -0.548721
H 6.616275 -0.898051 1.768587


