%chk=000048764.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048764

0 1
 S   -1.255900      0.5124000     -0.8837000    
 O    1.317400      0.1123000      -2.409500    
 O    2.548100       1.256800       1.975100    
 O    3.338800      -2.956600      0.3385000    
 N    2.237900      -1.448000      -1.002200    
 N    2.852200     -0.8765000       1.188300    
 C    1.355300      0.6295000     -4.0700000E-02
 C  -5.0500002E-02  0.2448000      0.4541000    
 C    1.366800       2.114500     -0.4316000    
 C    1.644500     -0.2238000      -1.271600    
 C    2.316100      0.4008000       1.121800    
 C  -0.4391000       1.058600       1.677300    
 C   -2.741300     -1.6000001E-02 -1.5000000E-03
 C   -3.968000      0.1010000     -0.9045000    
 C    2.701200       2.507600      -1.024300    
 C   -5.272700     -0.3369000     -0.2100000    
 C    2.829700      -1.844300      0.1911000    
 C   -5.151900      -1.791000      0.2528000    
 C   -5.628700      0.5548000      0.9805000    
 H  -7.5300001E-02 -0.8207000      0.7153000    
 H    1.192000       2.764500      0.4336000    
 H   0.6095000       2.379400      -1.175700    
 H  -0.6456000       2.110900       1.456000    
 H   -1.333000      0.6469000       2.157000    
 H   0.2993000       1.021700       2.480200    
 H   -2.899100      0.6314000      0.8608000    
 H   -2.587300      -1.043900      0.3352000    
 H   -4.085200       1.137400      -1.247200    
 H   -3.827300     -0.5144000      -1.803000    
 H    3.535300       2.306000     -0.3454000    
 H    2.909900       2.011300      -1.975900    
 H    2.708300       3.585000      -1.225400    
 H   -6.083000     -0.2701000     -0.9467000    
 H    2.318900      -2.094600      -1.781900    
 H    3.385800      -1.102000       2.023200    
 H   -6.131100      -2.162800      0.5753000    
 H   -4.471700      -1.906700       1.102400    
 H   -4.807400      -2.438000     -0.5607000    
 H   -4.921300      0.4467000       1.808400    
 H   -6.621500      0.2956000       1.364400    
 H   -5.652100       1.608400      0.6836000    


%chk=000048764-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048764

0 1
S -1.332967 0.814118 -0.794164
O 1.357985 0.498213 -2.518582
O 2.901679 0.933531 1.945393
O 2.643321 -3.237718 -0.086788
N 1.817561 -1.376576 -1.242411
N 2.679907 -1.137645 0.942552
C 1.450188 0.800899 -0.059571
C 0.000067 0.529951 0.557990
C 1.709339 2.308943 -0.314390
C 1.544847 0.004814 -1.382131
C 2.422278 0.247313 1.007790
C -0.301573 1.368952 1.812088
C -2.834576 0.126823 0.150612
C -3.947862 -0.196455 -0.863524
C 3.105171 2.626569 -0.892079
C -5.284015 -0.676946 -0.220557
C 2.381498 -2.009967 -0.124091
C -5.105753 -1.971633 0.609482
C -5.971677 0.431214 0.613810
H -0.068647 -0.549323 0.797117
H 1.591679 2.838724 0.645933
H 0.925052 2.670775 -1.003221
H -0.447376 2.430417 1.552856
H -1.229858 1.007638 2.287204
H 0.512110 1.299067 2.556537
H -3.157943 0.884948 0.882219
H -2.500199 -0.779845 0.685443
H -4.154888 0.705623 -1.474240
H -3.578155 -0.974351 -1.559860
H 3.908645 2.295223 -0.209901
H 3.252921 2.158569 -1.880294
H 3.214262 3.717979 -1.023026
H -5.956682 -0.916377 -1.071211
H 1.715102 -1.957869 -2.080590
H 3.206845 -1.551836 1.718468
H -6.085816 -2.364847 0.936906
H -4.503308 -1.788837 1.519377
H -4.602710 -2.761293 0.020193
H -5.386487 0.683155 1.518366
H -6.972238 0.102523 0.950701
H -6.099725 1.357538 0.022996


