%chk=000057038.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057038

0 1
 S    5.642500       1.847400     -0.8088000    
 O    2.151000     -0.5743000      -2.397000    
 O   -1.076100       2.477500      0.4521000    
 O   -7.255400      0.3870000     -0.6304000    
 N    4.555800     -0.2166000      0.3057000    
 N    6.601600      0.4825000       1.262800    
 C   0.2137000      -1.255000     -0.4795000    
 C    1.204200     -9.5899999E-02 -0.1963000    
 C   -1.121500      -1.107100      0.2646000    
 C   -1.807500      0.2217000     -0.1723000    
 C    2.460300     -0.6093000     -0.9846000    
 C    1.043600      -2.510300     -0.2296000    
 C   -3.206500      0.4485000      0.5132000    
 C   0.5566000       1.193200     -0.7190000    
 C    2.486700      -2.124300     -0.6210000    
 C   -2.050100      -2.294400     -2.1000000E-02
 C  -0.8051000       1.394100     -6.3000001E-02
 C    1.521600      8.0100000E-02   1.315100    
 C   -4.054900     -0.8254000      0.3621000    
 C   -3.381600      -2.134900      0.6994000    
 C   -3.921100       1.636000     -0.1979000    
 C    3.736500      0.1832000     -0.7293000    
 C   -3.076900      0.7482000       2.023900    
 C   -5.409500       1.722800      0.1024000    
 C   -5.342900     -0.8329000     -2.1000000E-02
 C   -6.089300      0.4258000     -0.2430000    
 C    4.155500       1.280100      -1.447700    
 C    5.592900      0.5897000      0.3577000    
 C    6.675800     -0.5374000       2.302500    
 H  -3.3199999E-02  -1.258600      -1.553300    
 H  -0.9269000      -1.089400       1.342500    
 H   -1.998900      0.1395000      -1.254700    
 H   0.6875000      -3.355800     -0.8276000    
 H    1.007200      -2.813400      0.8229000    
 H   0.3953000       1.170000      -1.802300    
 H    1.188100       2.061700     -0.5005000    
 H    3.147600      -2.335500      0.2270000    
 H    2.828800      -2.739900      -1.460900    
 H   -1.583100      -3.229600      0.3091000    
 H   -2.222400      -2.388800      -1.101100    
 H   0.6333000      0.3200000       1.907000    
 H    1.968600     -0.8156000       1.757000    
 H    2.223200      0.9074000       1.470800    
 H   -3.221200      -2.184000       1.783500    
 H   -4.021300      -2.989400      0.4460000    
 H   -3.799900       1.536300      -1.285800    
 H   -3.464700       2.592900      7.5999998E-02
 H   -4.056500      0.7576000       2.516300    
 H   -2.469700      1.3000000E-03   2.544700    
 H   -2.621500       1.724900       2.211400    
 H    2.895300     -0.9793000      -2.874900    
 H   -5.852100       2.519500     -0.5058000    
 H   -5.600200       1.952200       1.155400    
 H   -5.903900      -1.755400     -0.1269000    
 H    3.680900       1.767500      -2.287600    
 H    7.369400       1.148200       1.235800    
 H    6.704100      -1.537300       1.858600    
 H    5.814500     -0.4650000       2.973900    
 H    7.586000     -0.3964000       2.892800    


%chk=000057038-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057038

0 1
S 5.728430 1.928213 -0.906672
O 2.077854 -0.424347 -2.429589
O -1.102377 2.469479 0.544105
O -7.368952 0.426198 -0.647581
N 4.603720 -0.196895 0.301600
N 6.680317 0.459084 1.298321
C 0.228398 -1.288362 -0.427982
C 1.194491 -0.086708 -0.193988
C -1.113807 -1.144734 0.313321
C -1.814440 0.191982 -0.134933
C 2.454159 -0.583766 -0.999027
C 1.110009 -2.531820 -0.152585
C -3.228442 0.437595 0.519224
C 0.521848 1.200469 -0.735478
C 2.539566 -2.103140 -0.626281
C -2.048322 -2.338753 0.019771
C -0.832889 1.388744 -0.049020
C 1.567925 0.119131 1.296553
C -4.079278 -0.836334 0.345924
C -3.428485 -2.162816 0.692863
C -3.913271 1.632738 -0.218070
C 3.743797 0.181797 -0.749591
C -3.111012 0.733174 2.050780
C -5.426083 1.747654 0.057363
C -5.393638 -0.797251 -0.046281
C -6.158414 0.448304 -0.263618
C 4.152975 1.267765 -1.502277
C 5.671220 0.587096 0.377437
C 6.648182 -0.601329 2.314167
H 0.003586 -1.285111 -1.515852
H -0.932495 -1.109065 1.407449
H -1.990953 0.059959 -1.229594
H 0.746873 -3.424437 -0.690495
H 1.113065 -2.777623 0.926581
H 0.379702 1.089677 -1.827617
H 1.132536 2.100637 -0.546831
H 3.296050 -2.249764 0.162100
H 2.868440 -2.680043 -1.510231
H -1.581441 -3.276594 0.376130
H -2.179189 -2.436094 -1.077727
H 0.674598 0.348171 1.904253
H 2.067843 -0.762423 1.731261
H 2.259962 0.972723 1.399821
H -3.287077 -2.212768 1.793785
H -4.102973 -2.995894 0.423806
H -3.767980 1.499069 -1.310114
H -3.403563 2.567832 0.065378
H -4.113596 0.841067 2.501473
H -2.594455 -0.081706 2.589097
H -2.548184 1.666607 2.207699
H 2.830929 -0.760941 -2.978983
H -5.881727 2.566758 -0.526609
H -5.609102 1.984143 1.125792
H -5.962271 -1.728248 -0.172740
H 3.650113 1.740721 -2.341485
H 7.457607 1.115079 1.277450
H 6.635469 -1.600216 1.841309
H 5.745130 -0.514946 2.945349
H 7.543821 -0.514137 2.950491


