%chk=000001759.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000001759

0 1
 S    4.810400       1.404900     -7.9400003E-02
 S   -6.619200       3.737800      3.7000000E-03
 O  -0.1585000      -2.901600       1.079200    
 O    5.679300       1.061600       1.037600    
 O    5.330800       1.366700      -1.438900    
 N   -1.040500      -1.825800     -0.7772000    
 N   -5.158900       1.467000     -0.1703000    
 N    4.130500       2.946500      0.2044000    
 C   -3.378600      -1.897000     -9.3000000E-03
 C   -3.716300     -0.4868000     -0.5039000    
 C   -2.275500      -2.557900     -0.8295000    
 C   -4.846200      0.1298000      0.3202000    
 C    1.142000      -1.201500      0.1218000    
 C  -6.7800000E-02  -2.061300      0.1881000    
 C    3.388300      0.3947000     -1.4000000E-03
 C    1.516700     -0.6715000      -1.095500    
 C    1.852100     -0.9606000       1.279500    
 C    2.652600      0.1356000      -1.157900    
 C    2.988000     -0.1533000       1.217200    
 C   -6.229400       2.072800      0.6118000    
 H   -3.074700      -1.848600       1.043700    
 H   -4.276200      -2.525300     -5.6499999E-02
 H   -2.830000      0.1563000     -0.4404000    
 H   -4.008000     -0.5330000      -1.560800    
 H   -2.570600      -2.625300      -1.882000    
 H   -2.105900      -3.576500     -0.4635000    
 H   -4.537500      0.1795000       1.371400    
 H   -5.733400     -0.5122000      0.2599000    
 H  -0.9349000      -1.069400      -1.444400    
 H   -5.443900       1.416900      -1.147800    
 H   0.9922000     -0.8758000      -2.022900    
 H    1.550000      -1.374100       2.237100    
 H    2.947200      0.5510000      -2.117600    
 H    3.541400      4.1499998E-02   2.131500    
 H   -5.935900       2.165400       1.662300    
 H   -7.143300       1.472100      0.5570000    
 H    4.088500       3.601900     -0.5857000    
 H    4.327600       3.395700       1.106900    
 H   -6.975100       3.366900      -1.234900    


%chk=000001759-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000001759

0 1
S 4.185658 2.181329 -0.224890
S -2.872916 2.204812 -1.221445
O 0.016727 -3.105898 1.217060
O 5.597382 1.392221 -0.419715
O 3.638003 3.313902 -1.259825
N -1.364951 -1.987515 -0.292448
N -5.593720 1.084211 -0.668532
N 4.260282 2.986214 1.429437
C -3.764361 -2.190923 0.398706
C -4.281698 -1.088904 -0.553690
C -2.505226 -2.908266 -0.148709
C -5.317646 -0.140811 0.107682
C 0.833154 -1.029948 0.250823
C -0.197870 -2.122165 0.439669
C 2.829787 0.889055 -0.014006
C 0.504274 0.282640 -0.180786
C 2.179537 -1.355880 0.556149
C 1.512373 1.262396 -0.316902
C 3.200942 -0.394253 0.418545
C -4.791289 2.236303 -0.520573
H -3.510487 -1.748101 1.382130
H -4.552917 -2.948386 0.579825
H -3.442234 -0.451012 -0.888124
H -4.721444 -1.551214 -1.461669
H -2.729933 -3.374158 -1.129167
H -2.175444 -3.705464 0.539013
H -4.937976 0.177200 1.097872
H -6.272358 -0.672689 0.285996
H -1.451727 -1.208534 -0.946730
H -6.010274 0.932479 -1.590930
H -0.531938 0.579999 -0.384761
H 2.399667 -2.368694 0.907219
H 1.281835 2.275556 -0.660381
H 4.250144 -0.633385 0.617749
H -4.585796 2.466017 0.535206
H -5.219004 3.108457 -1.034085
H 4.035067 3.987515 1.307533
H 5.201415 2.822763 1.824011
H -3.217740 2.210231 -2.563760


