%chk=000019790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000019790

0 1
 S    5.039900      -1.478100     -9.4400004E-02
 S   -5.008000      -1.414800      0.2252000    
 S   0.5281000       2.833600      0.9350000    
 S  -0.4560000       2.837500     -0.8710000    
 O    6.325500     -0.7949000     -6.5399997E-02
 O    4.809700      -2.623500      0.7750000    
 O   -6.107100     -0.7308000      0.8921000    
 O   -5.259200      -2.167400     -0.9960000    
 N   0.3180000     -0.2108000       1.474200    
 N  -0.9193000      0.1988000      -2.428400    
 N    4.693900      -1.933800      -1.704500    
 N   -4.232400      -2.439800       1.351000    
 C    3.783700     -0.3006000      0.1953000    
 C   -3.745300     -0.2511000     -9.0400003E-02
 C    1.551100      0.2361000      0.9469000    
 C   -1.825200      0.4574000      -1.374300    
 C    1.777600       1.582000      0.6584000    
 C   -1.724100       1.613800     -0.5948000    
 C    2.554100     -0.7052000      0.7153000    
 C   -2.833600     -0.4729000      -1.122600    
 C    4.010000       1.045400     -9.3199998E-02
 C   -3.648300      0.9010000      0.6901000    
 C    3.006900       1.986500      0.1384000    
 C   -2.640000       1.831300      0.4382000    
 H    2.367700      -1.753400      0.9362000    
 H   -2.898400      -1.371900      -1.730800    
 H    4.957400       1.381800     -0.5049000    
 H   -4.344800       1.092000       1.501700    
 H    3.204700       3.030100     -9.4899997E-02
 H   -2.597000       2.724800       1.056700    
 H  -0.3984000      0.4618000       1.711600    
 H   0.1797000      -1.190400       1.683600    
 H  -0.1752000      0.8560000      -2.621600    
 H   -1.005600     -0.6452000      -2.978700    
 H    5.343500      -1.624100      -2.437600    
 H    4.306500      -2.872200      -1.861600    
 H   -4.549100      -2.401600       2.327500    
 H   -3.969000      -3.381400       1.035900    


%chk=000019790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000019790

0 1
S 5.378712 -1.452205 -0.371521
S -5.354178 -1.475575 0.033081
S 0.710672 2.742213 1.223095
S -0.688969 2.955314 -0.707270
O 6.784794 -0.634386 -0.421214
O 5.149854 -2.797086 0.519510
O -6.747663 -0.688718 0.329121
O -5.176610 -2.577153 -1.154130
N 0.669509 -0.319603 1.629611
N -0.705842 0.074756 -1.825044
N 4.959149 -1.937820 -2.102798
N -4.869292 -2.351699 1.585076
C 4.009144 -0.227027 0.061625
C -3.988611 -0.186494 -0.158457
C 1.816868 0.147306 1.027712
C -1.826555 0.394232 -1.090623
C 1.986958 1.549043 0.727129
C -1.969506 1.688137 -0.466818
C 2.873147 -0.749748 0.677090
C -2.880687 -0.555799 -0.919370
C 4.220524 1.132375 -0.234161
C -4.174363 1.068584 0.450060
C 3.177598 2.013555 0.114391
C -3.134178 2.003426 0.276425
H 2.811140 -1.819803 0.904327
H -2.838304 -1.544821 -1.388919
H 5.157119 1.480128 -0.677109
H -5.091196 1.307430 0.994800
H 3.276564 3.085777 -0.080918
H -3.214767 3.002243 0.716366
H -0.065127 0.343282 1.882183
H 0.554024 -1.303443 1.857153
H 0.029581 0.773625 -1.940771
H -0.610062 -0.830618 -2.276840
H 5.687516 -1.555301 -2.729453
H 4.910750 -2.970891 -2.127498
H -5.559679 -2.113865 2.317509
H -4.846031 -3.363372 1.369851


