%chk=000059079.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059079

0 1
 S    3.253000       1.773700     -0.9174000    
 O    3.783400      -3.770500     -0.6386000    
 O  -0.5547000       1.389300     -0.4959000    
 O   -2.725300       1.148900     -7.9099998E-02
 O   -1.496200     -0.6884000     -0.8271000    
 N    2.697800      -1.346700      0.3854000    
 C   0.7586000      8.4200002E-02   1.106700    
 C    2.131200     -0.5321000       1.458200    
 C   0.7430000      0.8468000     -0.2431000    
 C    1.848300      -2.514300      0.1124000    
 C    4.059300      -1.783100      0.7251000    
 C   0.2654000      0.9820000       2.253000    
 C    2.465800      -3.355600      -1.000900    
 C    4.624600      -2.640700     -0.4035000    
 C    1.699700       2.020600     -0.2851000    
 C    1.463800       3.288100      0.1340000    
 C    2.609000       4.111200     -6.8300001E-02
 C    3.654100       3.414000     -0.6332000    
 C   -1.579900      0.4894000     -0.5028000    
 C   -3.851000      0.3219000     -4.5600001E-02
 C   -4.131700     -0.3664000       1.113600    
 C   -4.635400      0.2274000      -1.173600    
 C   -5.255100      -1.192500       1.146600    
 C   -5.758800     -0.5987000      -1.140400    
 C   -6.068700      -1.308700      1.9600000E-02
 H   3.1300001E-02 -0.7338000       1.070800    
 H    2.027200      -1.127500       2.376300    
 H    2.826300      0.2783000       1.712000    
 H   0.9738000      0.1655000      -1.072600    
 H   0.8492000      -2.222600     -0.2228000    
 H    1.740600      -3.128300       1.016100    
 H    4.050800      -2.365100       1.655900    
 H    4.713500     -0.9164000      0.8729000    
 H  -0.7066000       1.436600       2.041700    
 H   0.1478000      0.3866000       3.165900    
 H   0.9778000       1.779300       2.485500    
 H    2.502700      -2.806500      -1.949800    
 H    1.866700      -4.257300      -1.163300    
 H    5.615100      -3.015400     -0.1266000    
 H    4.734700      -2.066500      -1.331600    
 H   0.5347000       3.637400      0.5659000    
 H    2.663700       5.161300      0.1877000    
 H    4.634100       3.789200     -0.8925000    
 H   -3.498300     -0.2756000       1.990500    
 H   -4.394500      0.7804000      -2.076000    
 H   -5.496300      -1.745300       2.049800    
 H   -6.392400     -0.6891000      -2.017900    
 H   -6.943400      -1.951900      4.5299999E-02


%chk=000059079-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000059079

0 1
S 3.132122 1.888747 -0.816868
O 3.793860 -3.498195 -1.409700
O -0.644168 1.116071 0.416446
O -2.799974 0.730100 0.169566
O -1.278032 -1.023545 -0.314415
N 2.843791 -1.370081 0.331049
C 1.126762 -0.084287 1.684498
C 2.555473 -0.680025 1.611253
C 0.807016 0.689847 0.370932
C 2.049765 -2.614938 0.132535
C 4.294763 -1.647135 0.164226
C 0.962318 0.771135 2.956803
C 2.357259 -3.218040 -1.247791
C 4.557937 -2.253507 -1.222439
C 1.590691 1.949643 0.135019
C 1.303477 3.248628 0.524321
C 2.282920 4.219015 0.094272
C 3.326879 3.664533 -0.626304
C -1.548206 0.144110 0.050547
C -4.034032 0.049484 -0.097950
C -5.161862 0.873599 0.107561
C -4.160280 -1.293536 -0.518023
C -6.450246 0.343532 -0.109302
C -5.463120 -1.804137 -0.728879
C -6.606493 -0.999479 -0.528118
H 0.398338 -0.918511 1.727845
H 2.694541 -1.357771 2.492272
H 3.288207 0.143199 1.717342
H 0.932338 -0.009910 -0.473575
H 0.970751 -2.380855 0.181309
H 2.283279 -3.367622 0.926890
H 4.668367 -2.352317 0.948483
H 4.851520 -0.695852 0.261679
H -0.056123 1.192226 3.022947
H 1.136220 0.154937 3.858168
H 1.680933 1.610383 2.971040
H 2.021733 -2.515748 -2.041415
H 1.850780 -4.188683 -1.376229
H 5.617256 -2.535736 -1.340419
H 4.275749 -1.518120 -2.006850
H 0.396443 3.499702 1.078152
H 2.209882 5.287149 0.312570
H 4.200264 4.149310 -1.059149
H -5.011238 1.907431 0.431365
H -3.278492 -1.915193 -0.676213
H -7.328118 0.978882 0.048971
H -5.575455 -2.844004 -1.054854
H -7.607097 -1.411333 -0.696368


