%chk=000102519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000102519

0 1
 S    3.476000     -0.6322000      0.6325000    
 S    4.729500      0.8683000     -0.1192000    
 O    6.202400      0.4887000      0.4669000    
 O    4.770400      0.7176000      -1.561100    
 O    4.317700       2.120500      0.4855000    
 N  -0.5000000     -0.7683000     -0.1545000    
 C   -1.541900      -1.708300      0.2611000    
 C   -2.919900      -1.266600     -0.2599000    
 C   -3.349900      0.1083000      0.2677000    
 C   -4.756100      0.4702000     -0.2179000    
 C   -1.199600      -3.109000     -0.2456000    
 C   -5.226900       1.846200      0.2583000    
 C   0.7896000      -1.153900      0.3958000    
 C    1.858400     -0.1626000     -4.7400001E-02
 C   -6.649600       2.181000     -0.1621000    
 H   -1.597400      -1.735100       1.357200    
 H   -3.669700      -2.010200      3.9700001E-02
 H   -2.916800      -1.250100      -1.357800    
 H   -2.646500      0.8794000     -6.7000002E-02
 H   -3.331900      0.1048000       1.364100    
 H   -4.780700      0.4447000      -1.314400    
 H   -5.464100     -0.2913000      0.1322000    
 H  -0.4477000     -0.7342000      -1.172200    
 H   -2.061600      -3.776300     -0.1274000    
 H  -0.3843000      -3.572500      0.3185000    
 H  -0.9375000      -3.107900      -1.309800    
 H   -5.164300       1.892200       1.352100    
 H   -4.550000       2.615900     -0.1310000    
 H   0.7365000      -1.175400       1.491400    
 H    1.101500      -2.142600      4.4599999E-02
 H    1.613700      0.8474000      0.2989000    
 H    1.934200     -0.1379000      -1.140000    
 H   -6.744400       2.179100      -1.252600    
 H   -6.931000       3.173500      0.2035000    
 H   -7.358600       1.453500      0.2456000    
 H    6.265400      0.4389000       1.449600    


%chk=000102519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000102519

0 1
S 2.940668 0.889394 -1.384096
S 2.969994 0.500489 1.112684
O 3.292657 -1.371117 1.200974
O 4.202149 1.226475 1.868446
O 1.464813 0.722434 1.681407
N -0.421967 -1.526698 -0.940660
C -0.943416 -1.548589 0.442988
C -2.447838 -1.180215 0.455852
C -2.742207 0.272213 0.022497
C -4.250285 0.607679 0.014434
C -0.686510 -2.923157 1.119963
C -4.547551 2.064473 -0.409125
C 0.973058 -1.232927 -1.213919
C 1.169299 0.300519 -1.494024
C -6.056139 2.392826 -0.423674
H -0.380916 -0.776260 1.002730
H -2.834275 -1.345711 1.481012
H -3.000300 -1.889160 -0.199673
H -2.317360 0.444547 -0.987115
H -2.213090 0.968151 0.706131
H -4.779809 -0.086870 -0.671864
H -4.674981 0.428110 1.024473
H -0.962835 -2.035273 -1.643769
H -0.992437 -2.892481 2.181917
H 0.386542 -3.183522 1.082327
H -1.261009 -3.724221 0.616976
H -4.023053 2.757412 0.279768
H -4.118606 2.245061 -1.416180
H 1.599272 -1.528863 -0.349444
H 1.338815 -1.804451 -2.086181
H 0.548928 0.911844 -0.815178
H 0.871726 0.519232 -2.536104
H -6.599295 1.732832 -1.126486
H -6.240147 3.438499 -0.731749
H -6.502294 2.253028 0.579082
H 3.903299 -1.529900 1.980883


