%chk=000030189.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030189

0 1
 S   -1.864700      -2.910600      0.1911000    
 O   -5.005300       2.847300      -1.130100    
 O   -5.914100       2.379100      0.8126000    
 N    3.680200     -0.7049000      7.7000000E-03
 N   -5.128500       2.104300     -0.1264000    
 N    5.206600      0.8356000     -0.6272000    
 N    2.968200       1.156400      -1.334800    
 N    6.863700       2.098000      0.4216000    
 N    4.791600       2.090500       1.381700    
 C  -0.2095000      -2.252300      0.1365000    
 C   -2.838600      -1.415400      9.6500002E-02
 C   0.6556000      -2.624700     -0.8924000    
 C   0.2208000      -1.364200       1.122400    
 C    2.375600      -1.224100      5.0999999E-02
 C   -2.716100     -0.5781000      -1.009500    
 C   -3.715800      -1.093200       1.129000    
 C   -4.355200      0.9157000     -5.1199999E-02
 C    1.951200      -2.109500     -0.9351000    
 C    1.516400     -0.8490000       1.079600    
 C   -3.475600      0.5896000      -1.083300    
 C   -4.475400      7.4400000E-02   1.054900    
 C    3.894500      0.4061000     -0.6410000    
 C    5.574100       1.629000      0.3464000    
 H   0.3378000      -3.314900      -1.670000    
 H  -0.4333000      -1.064200       1.937300    
 H   -2.041600     -0.8157000      -1.828200    
 H   -3.821100      -1.737100       1.998600    
 H    2.618800      -2.405100      -1.740100    
 H    1.844500     -0.1590000       1.852500    
 H   -3.357000       1.220500      -1.960600    
 H   -5.150100      0.2968000       1.877600    
 H    3.244600       2.006500      -1.814300    
 H    1.990600      0.8937000      -1.391300    
 H    7.556000       1.841300     -0.2738000    
 H    7.161200       2.713500       1.170600    
 H    3.814400       1.834700       1.470800    
 H    5.171900       2.706600       2.092000    


%chk=000030189-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030189

0 1
S -1.753324 -2.421467 1.166384
O -5.861644 2.438321 -1.325322
O -7.394123 0.835035 -0.781359
N 3.597888 0.381821 0.328865
N -6.178166 1.274215 -0.854483
N 5.404561 1.370400 -0.922482
N 3.344106 1.186325 -1.935117
N 7.565671 1.700183 -0.154767
N 5.977700 0.718811 1.315939
C -0.178676 -1.516939 0.860122
C -3.026773 -1.263444 0.538732
C 0.531850 -1.724858 -0.344837
C 0.367479 -0.680857 1.864067
C 2.331537 -0.219205 0.435969
C -2.723972 0.020236 0.018496
C -4.376923 -1.707135 0.597826
C -5.093951 0.400001 -0.374392
C 1.768803 -1.083533 -0.559095
C 1.604304 -0.042925 1.653281
C -3.757527 0.856153 -0.439699
C -5.414538 -0.877851 0.142227
C 4.093844 0.937549 -0.794932
C 6.284146 1.247316 0.092070
H 0.122380 -2.395596 -1.107756
H -0.175841 -0.532947 2.803286
H -1.685236 0.360695 -0.024309
H -4.610241 -2.699591 0.998004
H 2.328956 -1.289362 -1.477946
H 2.033568 0.604653 2.424606
H -3.550860 1.851007 -0.843167
H -6.459511 -1.196544 0.176606
H 3.804194 1.681952 -2.694761
H 2.343263 1.010075 -1.962680
H 7.746196 2.089183 -1.076648
H 8.312111 1.641908 0.531434
H 4.964483 0.415928 1.370729
H 6.650666 0.648085 2.076210


