%chk=000005383.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005383

0 1
 S  -0.8753000      -1.293200     -7.7000000E-03
 O    4.088800     -0.7786000      1.0000000E-03
 N   -1.073700       1.261200      7.7999998E-03
 N    1.732400     -0.9432000     -3.8000001E-03
 N   0.2838000      0.9920000      6.2000002E-03
 N    2.886000       1.177400     -6.9999998E-04
 C   -3.265500      9.9399999E-02 -1.4000000E-03
 C   -1.718900      0.1604000      1.0000000E-03
 C   -3.846400       1.530100      5.5000000E-03
 C   -3.762100     -0.6617000       1.247200    
 C   -3.846700     -0.6229000      -1.236700    
 C   0.5244000     -0.3017000     -1.7000000E-03
 C    1.837700      -2.445300     -1.3000000E-02
 C    2.990800     -0.2152000      2.7999999E-03
 C    4.044500       2.041200     -6.5000001E-03
 H   -4.942400       1.514900      2.0300001E-02
 H   -3.514800       2.089700      0.8882000    
 H   -3.534000       2.092900     -0.8820000    
 H   -3.354300     -0.2209000       2.164600    
 H   -4.855300     -0.6217000       1.321000    
 H   -3.480300      -1.720300       1.233900    
 H   -3.550000      -1.677000      -1.274900    
 H   -4.942500     -0.5932000      -1.237600    
 H   -3.497500     -0.1525000      -2.163400    
 H    2.882600      -2.765700     -1.4400000E-02
 H    1.365400      -2.834200     -0.9201000    
 H    1.364300      -2.845300      0.8887000    
 H    1.980500       1.627600     -4.3200001E-02
 H    4.500600       2.007500     -0.9992000    
 H    4.766200       1.696700      0.7388000    
 H    3.723800       3.059600      0.2234000    


%chk=000005383-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005383

0 1
S -0.925523 -1.502565 -0.005600
O 4.195021 -0.782198 -0.026439
N -1.077492 1.168902 0.006344
N 1.840555 -0.976456 -0.016036
N 0.290326 0.880249 -0.000368
N 2.908158 1.171384 -0.010861
C -3.385547 0.120487 0.011112
C -1.867790 0.108698 0.004769
C -3.883967 1.590406 0.017218
C -3.904010 -0.613183 1.283730
C -3.914279 -0.605871 -1.261584
C 0.571491 -0.437229 -0.007400
C 2.000816 -2.446246 -0.020568
C 3.079553 -0.182513 -0.021722
C 4.075623 2.058297 -0.014686
H -4.989350 1.598346 0.022916
H -3.518455 2.130872 0.906575
H -3.527672 2.134954 -0.873401
H -3.532958 -0.122601 2.200959
H -5.008952 -0.590352 1.298841
H -3.582666 -1.670822 1.302541
H -3.595773 -1.664224 -1.287756
H -5.019244 -0.580223 -1.268942
H -3.548485 -0.111578 -2.178927
H 3.082032 -2.650049 -0.028804
H 1.534637 -2.886949 -0.920349
H 1.547769 -2.891292 0.883760
H 1.929743 1.535694 -0.012358
H 4.555693 2.096206 -1.010737
H 4.831622 1.704109 0.706837
H 3.751223 3.073744 0.265035


