%chk=000065790.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000065790

0 1
 S    1.939400       1.618900       2.419100    
 O    4.567200     -0.8918000      -1.238600    
 O   -2.554800       1.961500      -1.323000    
 O   -2.161600      -2.266000      0.8922000    
 O   -3.651300     -0.4800000     -0.6106000    
 N    2.537400      0.4779000      0.1173000    
 C    2.243700     -0.2049000      -1.135000    
 C    3.931000      0.8444000      0.3294000    
 C    3.216900      -1.357600      -1.341300    
 C    4.831200     -0.3537000      6.1799999E-02
 C    1.560600      0.8401000      0.9833000    
 C   0.1826000      0.4915000      0.5624000    
 C  -0.3402000     -0.7325000      0.9306000    
 C  -0.5390000       1.400500     -0.1862000    
 C   -1.835500       1.072300     -0.5826000    
 C   -1.636700      -1.060900      0.5342000    
 C   -2.384400     -0.1584000     -0.2223000    
 C   -3.355600       2.901200     -0.6089000    
 C   -1.954400      -3.355200     -4.6999999E-03
 C   -4.596400     -0.7473000      0.4229000    
 H    2.387300      0.5409000      -1.926900    
 H    1.230200     -0.5914000      -1.234500    
 H    4.183300       1.242500       1.311600    
 H    4.148800       1.632100     -0.4033000    
 H    3.053600      -2.155300     -0.6069000    
 H    3.086200      -1.787600      -2.339200    
 H    5.882300     -4.9800001E-02  9.0200000E-02
 H    4.687500      -1.139200      0.8133000    
 H   0.2421000      -1.436800       1.518700    
 H  -0.1110000       2.358300     -0.4699000    
 H   -2.728000       3.535600      2.5000000E-02
 H   -4.105400       2.386700     -9.9999997E-05
 H   -3.870900       3.534500      -1.336200    
 H  -0.8851000      -3.561000     -0.1166000    
 H   -2.400000      -3.141200     -0.9813000    
 H   -2.439500      -4.241000      0.4144000    
 H   -4.345600     -0.2337000       1.357700    
 H   -4.675200      -1.825100      0.5896000    
 H   -5.572700     -0.3851000      8.7399997E-02


%chk=000065790-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000065790

0 1
S 2.196139 0.067540 2.791402
O 4.971043 -0.356914 -1.467039
O -2.094193 1.956665 -1.259745
O -2.448980 -2.314497 1.280344
O -3.745038 -0.342257 -0.341946
N 2.732415 0.533289 0.146191
C 2.564528 0.285629 -1.311451
C 4.123673 0.922187 0.486320
C 3.596177 -0.767398 -1.779281
C 5.113767 -0.146010 -0.012900
C 1.805729 0.207993 1.116415
C 0.381082 0.032800 0.685716
C -0.373115 -1.070401 1.157609
C -0.251614 1.006929 -0.123311
C -1.627717 0.915986 -0.447113
C -1.726286 -1.192217 0.804273
C -2.386782 -0.195897 0.022012
C -3.518749 2.334163 -1.266450
C -2.839312 -3.279365 0.226104
C -4.703563 -0.330166 0.792887
H 2.730317 1.233994 -1.858398
H 1.544466 -0.068304 -1.520354
H 4.190927 1.038384 1.581510
H 4.338684 1.888300 -0.010429
H 3.372514 -1.745726 -1.300336
H 3.560340 -0.878442 -2.875696
H 6.154882 0.182393 0.135898
H 4.943523 -1.100300 0.528133
H 0.086071 -1.824305 1.802044
H 0.289564 1.890661 -0.475056
H -3.887942 2.505687 -0.237272
H -4.134613 1.564041 -1.756150
H -3.547056 3.278587 -1.831953
H -1.936627 -3.708120 -0.249158
H -3.473988 -2.794376 -0.537851
H -3.399392 -4.071210 0.746379
H -4.703500 0.665083 1.277725
H -4.440779 -1.108965 1.528762
H -5.688595 -0.532039 0.345165


