%chk=000002559.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002559

-2 1
 S    2.706400      0.9328000       1.706200    
 O    2.148700       1.298800      -2.623900    
 O    3.258600      -2.227600      0.8955000    
 O    4.551800      -2.515200     -0.9699000    
 O   -1.406300       1.667000       1.345700    
 O   -4.206100       1.669600       1.492600    
 O   -4.705700       2.533200     -0.5603000    
 N    2.329000     -4.5699999E-02 -0.6945000    
 N  -0.5554000       1.117700     -0.7389000    
 C    1.511300      0.3168000      0.4619000    
 C    4.200200      0.5673000      0.6564000    
 C    3.723700     -0.3727000     -0.4785000    
 C   0.8514000       1.384900     -0.4264000    
 C    1.830200      0.9161000      -1.521200    
 C    4.702400       1.906300      8.9199997E-02
 C    5.294200     -3.1800002E-02   1.547700    
 C    3.857000      -1.851400     -0.1504000    
 C   -1.584200       1.284500      0.1908000    
 C   -2.957200      0.9227000     -0.3676000    
 C   -3.284000     -0.5464000     -0.1832000    
 C   -4.067100       1.794100      0.2405000    
 C   -4.104000      -1.173900      -1.102800    
 C   -2.754300      -1.222600      0.9004000    
 C   -4.405000      -2.525300     -0.9330000    
 C   -3.055100      -2.574000       1.070200    
 C   -3.880500      -3.225300      0.1535000    
 H   0.8726000     -0.5044000      0.8015000    
 H    4.275600     -0.1571000      -1.402500    
 H    1.011900       2.429000     -0.1352000    
 H    5.579700       1.746400     -0.5487000    
 H    3.948800       2.416400     -0.5195000    
 H    5.004600       2.595800      0.8866000    
 H    6.151100     -0.3513000      0.9432000    
 H    5.668700      0.7079000       2.266300    
 H    4.958600     -0.8926000       2.133900    
 H  -0.8054000      0.7855000      -1.667400    
 H   -2.929300       1.135400      -1.446500    
 H   -4.518100     -0.6363000      -1.950600    
 H   -2.123200     -0.7489000       1.643800    
 H   -5.048200      -3.032300      -1.646400    
 H   -2.650100      -3.118700       1.918200    
 H   -4.115600      -4.277300      0.2864000    


%chk=000002559-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002559

-2 1
S 3.415470 -0.971706 0.905845
O 1.599284 3.028688 -0.357405
O 4.504104 -0.518909 -2.594939
O 6.195457 1.085320 -2.307184
O -1.371345 -0.357957 1.388751
O -4.119656 1.131089 -1.783294
O -1.971659 0.805532 -2.646891
N 2.865892 1.002745 -0.827203
N -0.314958 0.205973 -0.626701
C 2.255785 -0.285916 -0.469178
C 4.754821 0.418976 0.578980
C 4.322693 1.127468 -0.780274
C 0.956748 0.495296 -0.010923
C 1.772200 1.788420 -0.412215
C 4.683141 1.426333 1.750461
C 6.138330 -0.250898 0.496929
C 5.063602 0.505134 -2.034105
C -1.399676 -0.226184 0.119503
C -2.629459 -0.592004 -0.752659
C -3.820162 -1.036625 0.056762
C -2.962488 0.582733 -1.823928
C -4.342218 -2.347618 -0.077167
C -4.472010 -0.146166 0.950960
C -5.476691 -2.768811 0.657683
C -5.598216 -0.560364 1.691966
C -6.110592 -1.874688 1.550542
H 2.192491 -1.022126 -1.279280
H 4.595077 2.196185 -0.718123
H 0.825526 0.438304 1.085140
H 5.489304 2.181397 1.644494
H 3.712256 1.952672 1.762415
H 4.807472 0.913759 2.722684
H 6.894992 0.499365 0.200722
H 6.414249 -0.695707 1.473057
H 6.134176 -1.036502 -0.275665
H -0.559973 0.445512 -1.621760
H -2.290383 -1.426936 -1.399001
H -3.850179 -3.046057 -0.767402
H -4.087822 0.872769 1.050286
H -5.859468 -3.790955 0.534608
H -6.085127 0.143766 2.379500
H -6.989287 -2.193907 2.127108


