%chk=000003329.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003329

0 1
 S   0.2845000      -1.681600     -0.4124000    
 O    3.184400      -1.288200     -0.9078000    
 O   -4.666600     -0.3743000      0.7699000    
 O   -2.288300       1.684100       1.104100    
 O  -0.1348000       3.080600      -1.001900    
 O    1.645400       2.695100      0.3809000    
 N   -1.019300      0.5940000     -0.5656000    
 C   -1.288400     -0.8319000     -0.8078000    
 C   -2.342500     -0.7484000      0.3105000    
 C   -1.973300      0.7523000      0.3989000    
 C    1.148700     -0.1490000     -0.3604000    
 C   -3.762800      -1.015100     -0.1301000    
 C   0.3097000      0.8995000     -0.4202000    
 C    2.628800     -0.1665000     -0.1984000    
 C    3.079300     -0.3085000       1.247600    
 C    4.413800     -0.9933000       1.089700    
 C    4.140200      -1.939200     -5.8400001E-02
 C   -4.060900      -2.509700     -0.1547000    
 C   0.7021000       2.300300     -0.2840000    
 H   -1.661200      -1.011900      -1.821800    
 H   -2.083400      -1.270700       1.241700    
 H   -3.958000     -0.5997000      -1.126000    
 H    3.079600      0.7267000     -0.6471000    
 H    2.404500     -0.9515000       1.826200    
 H    3.151100      0.6523000       1.765900    
 H    5.175100     -0.2599000      0.7988000    
 H    4.756000      -1.504700       1.993100    
 H    5.040500      -2.177500     -0.6313000    
 H    3.692500      -2.874200      0.2951000    
 H   -3.938100      -2.948900      0.8415000    
 H   -5.099100      -2.687900     -0.4539000    
 H   -3.397800      -3.037200     -0.8471000    
 H   -4.566700      0.5861000      0.6565000    
 H   9.8399997E-02   4.031000     -0.9336000    


%chk=000003329-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003329

0 1
S 0.319981 -1.834490 -0.435477
O 3.204972 -1.585402 -0.734120
O -4.812908 -0.613633 1.001026
O -2.361556 1.494689 1.407690
O -0.205595 3.168454 -0.676719
O 2.044526 2.643440 -0.361450
N -1.015129 0.533862 -0.415227
C -1.337221 -0.879159 -0.745912
C -2.474355 -0.862447 0.324539
C -2.004369 0.597396 0.625456
C 1.198329 -0.234673 -0.411250
C -3.946226 -0.992193 -0.126312
C 0.375020 0.879982 -0.448584
C 2.697826 -0.256590 -0.305838
C 3.230536 -0.042613 1.141317
C 4.578811 -0.800878 1.100203
C 4.239441 -2.037432 0.242032
C -4.335390 -2.421272 -0.511833
C 0.845511 2.266501 -0.483732
H -1.621977 -1.066604 -1.792288
H -2.286874 -1.529131 1.183260
H -4.117375 -0.306665 -0.986758
H 3.114989 0.528108 -0.966896
H 2.543517 -0.505880 1.872796
H 3.326843 1.029767 1.367572
H 5.349658 -0.183566 0.604922
H 4.942219 -1.073776 2.105355
H 5.093017 -2.425058 -0.339054
H 3.809262 -2.854728 0.853505
H -4.172293 -3.105170 0.339534
H -5.404638 -2.455991 -0.780422
H -3.745140 -2.776832 -1.375964
H -4.539348 0.280358 1.340263
H 0.159335 4.093827 -0.653731


