%chk=000026554.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026554

0 1
 S    4.459000       1.375600      0.3518000    
 O    4.573700       1.777800       1.747600    
 O    5.069900       2.191000     -0.6884000    
 O   -3.534900      0.6221000     -0.9854000    
 O   -2.340200      0.5091000      0.9960000    
 O   -4.874200      -3.169800     -0.3011000    
 O   -3.386800      -1.833300      -1.206900    
 N   -1.280900      0.8914000      -1.061700    
 N   -4.428300      -2.021500     -0.5348000    
 C    2.769100       1.233000     -6.4499997E-02
 C    5.194000     -0.2357000      0.2771000    
 C    2.365600       1.354100      -1.394200    
 C    1.822700      0.9982000      0.9329000    
 C   6.9200002E-02   1.004900     -0.7292000    
 C    1.015700       1.240000      -1.726500    
 C   0.4728000      0.8841000      0.6006000    
 C    5.744000     -0.6678000     -0.9147000    
 C    5.199800      -1.023700       1.412100    
 C    6.321800      -1.935800     -0.9736000    
 C    5.777700      -2.291900       1.353100    
 C    6.338800      -2.748000      0.1603000    
 C   -2.366700      0.6601000     -0.2200000    
 C   -4.695000      0.3941000     -0.2379000    
 C   -5.127400     -0.8950000     -2.0500001E-02
 C   -5.363600       1.493400      0.2556000    
 C   -6.287200      -1.096200      0.7279000    
 C   -6.523400       1.292300       1.004000    
 C   -6.985300     -2.6000000E-03   1.240200    
 H    3.084700       1.528900      -2.189400    
 H    2.117000      0.8948000       1.973700    
 H   0.7153000       1.334600      -2.767000    
 H  -0.2015000      0.7008000       1.425600    
 H    5.733500     -5.2600000E-02  -1.809000    
 H    4.760200     -0.6921000       2.347400    
 H    6.756900      -2.291900      -1.902900    
 H    5.788700      -2.925400       2.235200    
 H   -1.504300      0.9902000      -2.049200    
 H    6.787700      -3.735900      0.1141000    
 H   -5.005300       2.501500      7.1599998E-02
 H   -6.678800      -2.089100      0.9337000    
 H   -7.066800       2.143800       1.402700    
 H   -7.888400     -0.1586000       1.823000    


%chk=000026554-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026554

0 1
S 4.650950 1.362310 0.324125
O 4.815753 1.795556 1.895286
O 5.275072 2.221306 -0.925179
O -3.583799 1.043173 -0.713766
O -2.369197 0.597114 1.277111
O -4.352867 -3.023388 0.528675
O -2.980400 -1.627931 -0.628515
N -1.329012 1.100151 -0.798645
N -4.066313 -1.868255 0.031463
C 2.794377 1.226705 -0.006978
C 5.338365 -0.403686 0.167835
C 2.340732 1.439782 -1.318250
C 1.930988 0.994512 1.074327
C 0.054127 1.131714 -0.484469
C 0.954753 1.387338 -1.554888
C 0.542587 0.938801 0.836396
C 5.818674 -0.812741 -1.085678
C 5.393487 -1.192206 1.327359
C 6.359020 -2.116458 -1.184959
C 5.936642 -2.492981 1.207803
C 6.409935 -2.952687 -0.044290
C -2.374652 0.854820 0.059654
C -4.797496 0.571745 -0.180116
C -5.056549 -0.778453 0.194885
C -5.832304 1.524352 -0.070516
C -6.327659 -1.142957 0.700734
C -7.102829 1.152962 0.412357
C -7.349039 -0.183578 0.809625
H 3.052505 1.668649 -2.117857
H 2.332891 0.886142 2.087051
H 0.570863 1.551006 -2.568854
H -0.155847 0.751454 1.654199
H 5.796294 -0.125724 -1.938203
H 5.052055 -0.791170 2.287416
H 6.744795 -2.472332 -2.145986
H 5.996180 -3.139251 2.089680
H -1.596297 1.231249 -1.776911
H 6.830948 -3.960506 -0.128468
H -5.611215 2.555334 -0.361170
H -6.484915 -2.185479 0.989483
H -7.892773 1.906721 0.490660
H -8.330028 -0.474215 1.196874


