%chk=000005479.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005479

0 1
 S    2.725800     -2.7000001E-02  0.2587000    
 O    2.812500       1.255500      0.9368000    
 O    3.084900      -1.254000      0.9494000    
 O   -2.827100       2.681500     -0.2685000    
 O  -0.8054000       2.219200      0.4641000    
 N   -1.315400     -0.5096000      0.2211000    
 N   -3.133200      -1.558000     -0.4665000    
 N   -1.935200       1.840600      4.1200001E-02
 C    1.088200     -0.2079000     -0.3739000    
 C   4.0500000E-02 -0.3160000      0.7249000    
 C    3.724700      7.4000001E-02  -1.209100    
 C   -1.906300      -1.709800     -1.9500000E-02
 C   -2.202200      0.4731000     -8.5100003E-02
 C    5.190300      0.2349000     -0.8727000    
 C   -3.323600     -0.1995000     -0.5103000    
 C   -1.218700      -2.997000      0.2094000    
 H    1.082500      -1.102400      -1.005300    
 H   0.8914000      0.6570000      -1.015400    
 H   0.2725000      -1.196500       1.337900    
 H   7.2600000E-02  0.4926000       1.457300    
 H    3.562300     -0.8431000      -1.783000    
 H    3.369800      0.9291000      -1.791900    
 H    5.786500      0.2950000      -1.788300    
 H    5.365800       1.146200     -0.2921000    
 H    5.556700     -0.6117000     -0.2831000    
 H   -4.261800      0.2189000     -0.8463000    
 H  -0.2702000      -3.047900     -0.3332000    
 H   -1.028300      -3.155800       1.275300    
 H   -1.841600      -3.826700     -0.1409000    


%chk=000005479-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005479

0 1
S 2.351359 -0.482206 -0.181429
O 2.618160 -0.962819 1.368349
O 1.917588 -1.596042 -1.305394
O -3.609330 1.912761 -1.319980
O -1.563468 2.429571 -0.420311
N -1.214526 -0.345516 0.275380
N -2.576954 -2.068933 -0.332474
N -2.506413 1.574490 -0.733369
C 0.956531 0.886762 -0.069403
C -0.113321 0.401158 0.914965
C 3.945978 0.435530 -0.825751
C -1.416413 -1.726531 0.307658
C -2.314412 0.195348 -0.433312
C 4.983226 -0.619230 -1.195158
C -3.132612 -0.890367 -0.789291
C -0.477549 -2.714175 0.916727
H 0.605198 1.037168 -1.098815
H 1.482126 1.775964 0.312375
H 0.358820 -0.244813 1.679799
H -0.534801 1.281477 1.423407
H 3.587929 1.026963 -1.684913
H 4.229021 1.080922 0.021146
H 5.874468 -0.119282 -1.616639
H 5.298139 -1.200376 -0.312092
H 4.584736 -1.314715 -1.953552
H -4.065096 -0.857085 -1.346250
H 0.438899 -2.810099 0.303719
H -0.163825 -2.441648 1.939721
H -0.985457 -3.689577 0.945888


