%chk=000149239.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149239

0 1
 I    3.993500      -5.278900      0.4228000    
 S   -6.016300     -0.5479000      0.3411000    
 O   -7.371300     -0.1638000      0.6905000    
 O   -5.728400      -1.142000     -0.9494000    
 N   0.3073000      0.5445000      -1.277000    
 N    3.998700      0.1064000      0.6593000    
 N   -4.974800      0.7885000      0.6499000    
 C    1.558800      0.3959000     -0.6201000    
 C    2.078800     -0.8836000     -0.4003000    
 C    2.260000       1.530600     -0.1995000    
 C    3.319200     -0.9831000      0.2522000    
 C    3.493300       1.336600      0.4452000    
 C   -1.008000      0.6045000     -0.7978000    
 C    1.395700      -2.041100     -0.8122000    
 C    1.761100       2.828400     -0.4071000    
 C    3.842200      -2.254400      0.4739000    
 C    4.196000       2.462400      0.8664000    
 C   -2.077700      0.7594000      -1.686700    
 C   -1.264700      0.5113000      0.5748000    
 C   -3.635100      0.7269000      0.1603000    
 C    1.940200      -3.300400     -0.5786000    
 C    2.483200       3.937300      2.3600001E-02
 C    3.165900      -3.406800      6.5899998E-02
 C    3.703200       3.753400      0.6617000    
 C   -3.386900      0.8205000      -1.209200    
 C   -2.573900      0.5723000       1.052300    
 C   -5.459800      -1.677000       1.598100    
 H   0.4001000      0.6163000      -2.286000    
 H   0.4375000      -1.993500      -1.323000    
 H   0.8129000       3.008200     -0.9069000    
 H    4.803600      -2.341100      0.9792000    
 H    5.154500       2.344600       1.368800    
 H   -1.899800      0.8367000      -2.756600    
 H  -0.4578000      0.3902000       1.293000    
 H    1.393900      -4.180400     -0.9072000    
 H    2.096500       4.938600     -0.1388000    
 H   -4.201900      0.9540000      -1.915700    
 H   -2.755500      0.4970000       2.121300    
 H    4.275000       4.612000       1.001500    
 H   -5.056600       1.197100       1.590600    
 H   -5.555800      -1.198400       2.574500    
 H   -6.096800      -2.563600       1.558100    
 H   -4.425400      -1.960300       1.397400    


%chk=000149239-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000149239

0 1
I 5.303513 -5.173516 -0.235708
S -6.313704 0.111906 0.491097
O -7.623914 0.759480 1.202493
O -6.367571 -0.531608 -1.000125
N 0.242808 -0.088667 -1.237006
N 4.104341 0.095063 0.668383
N -4.928377 1.590802 0.401896
C 1.492424 -0.003635 -0.572980
C 2.304358 -1.180072 -0.486303
C 2.001924 1.233357 -0.058660
C 3.623426 -1.064815 0.124603
C 3.313046 1.212789 0.587448
C -1.021913 0.339866 -0.780154
C 1.877750 -2.472830 -0.949321
C 1.325932 2.495560 -0.196789
C 4.474727 -2.226264 0.185246
C 3.838294 2.434850 1.137998
C -2.112926 0.346723 -1.699931
C -1.255436 0.724766 0.571771
C -3.630418 1.145820 0.056299
C 2.714748 -3.583715 -0.874861
C 1.877354 3.661434 0.328190
C 4.028932 -3.442390 -0.313661
C 3.136624 3.629857 1.019443
C -3.392732 0.748275 -1.294520
C -2.544840 1.098758 0.982335
C -5.635356 -1.279593 1.649299
H 0.230459 -0.655821 -2.087843
H 0.863665 -2.608345 -1.341355
H 0.372542 2.540621 -0.729665
H 5.460840 -2.094583 0.636698
H 4.813140 2.377185 1.631217
H -1.942613 0.056933 -2.744061
H -0.436218 0.706997 1.295876
H 2.371348 -4.560286 -1.226815
H 1.351890 4.614653 0.206364
H -4.225332 0.776491 -2.002969
H -2.715376 1.375710 2.030862
H 3.548654 4.555507 1.435519
H -4.993188 2.003614 1.353709
H -5.624912 -0.864978 2.666542
H -6.348221 -2.109130 1.543170
H -4.635094 -1.539469 1.276569


