%chk=000132151.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000132151

0 1
 S    4.529700     -0.2532000      -1.049200    
 O    5.609000     -0.9767000     -0.3917000    
 O    4.633600      7.0799999E-02  -2.465100    
 O   -4.577100       3.774200     -0.8059000    
 N    4.219300       1.187900     -0.1772000    
 N    3.049700       3.210000       1.496600    
 N   -1.542000      -2.517200      0.6722000    
 N   -4.686800       1.518800      -1.513800    
 C    3.042200       1.977800     -0.6413000    
 C    4.236200       1.054800       1.308400    
 C    3.046000       3.343800      3.8899999E-02
 C    4.212600       2.441900       1.943900    
 C    3.041200      -1.127400     -0.7879000    
 C   -2.357300      -1.519200      9.2600003E-02
 C   -2.276400     -0.1790000      0.5281000    
 C   -3.128100      0.7084000     -0.1185000    
 C  -0.6110000      -3.266800     -0.1453000    
 C   0.6698000      -2.516300     -0.3703000    
 C   -4.003400      0.3696000      -1.111300    
 C   -3.212900       2.049400      0.1473000    
 C   -1.619000      -2.790900       2.092100    
 C    2.914900      -1.977300      0.3108000    
 C    1.977500     -0.9744000      -1.677200    
 C   -3.260400      -1.881900     -0.9353000    
 C    1.725000      -2.674200      0.5204000    
 C   0.7876000      -1.671400      -1.467600    
 C   -4.096600     -0.9325000      -1.549600    
 C   -1.456300      0.3902000       1.525900    
 C   -4.236700       2.608100     -0.7625000    
 C   -2.419400       2.620800       1.118000    
 C   -1.534200       1.774900       1.810100    
 C   -2.676800      -3.843000       2.364500    
 H    2.108900       1.461800     -0.3933000    
 H    3.091100       2.123600      -1.725200    
 H    5.147600      0.5411000       1.630300    
 H    3.369400      0.4794000       1.650200    
 H    2.153500       3.901400     -0.2648000    
 H    3.917600       3.927000     -0.2835000    
 H    4.173800       2.339800       3.033800    
 H    5.133800       2.986800       1.702400    
 H    3.074500       4.137100       1.920200    
 H  -0.3832000      -4.232300      0.3268000    
 H   -1.052400      -3.541700      -1.112100    
 H  -0.6530000      -3.147100       2.468200    
 H   -1.872100      -1.911100       2.689200    
 H    3.728600      -2.109800       1.018300    
 H    2.051500     -0.3167000      -2.538600    
 H   -3.331100      -2.917700      -1.261700    
 H    1.639500      -3.333400       1.379600    
 H  -3.3500001E-02  -1.544400      -2.167600    
 H   -4.785700      -1.224600      -2.333500    
 H  -0.7208000     -0.1972000       2.066800    
 H   -5.394400       1.540700      -2.238000    
 H   -2.466200       3.679500       1.344800    
 H  -0.8852000       2.195200       2.575000    
 H   -3.668400      -3.500400       2.050300    
 H   -2.459400      -4.773100       1.828700    
 H   -2.720800      -4.070700       3.434300    


%chk=000132151-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000132151

0 1
S 4.351992 -0.201949 -0.936514
O 5.550331 -0.969013 -0.148668
O 4.480519 0.335577 -2.465292
O -4.174073 4.069576 -1.194290
N 3.972628 1.339155 0.106432
N 2.606492 3.159336 1.752496
N -1.718419 -2.630082 0.643510
N -4.636368 1.748396 -1.526665
C 2.863331 2.140728 -0.475921
C 3.756568 0.992522 1.535282
C 2.815069 3.466956 0.316516
C 3.701287 2.329364 2.309335
C 2.813142 -1.301174 -0.828531
C -2.451523 -1.541027 0.071918
C -2.112386 -0.144123 0.309351
C -2.966861 0.816847 -0.288372
C -0.878620 -3.469113 -0.257020
C 0.464835 -2.791939 -0.529503
C -4.080354 0.511663 -1.125007
C -2.800906 2.223058 -0.188242
C -1.369082 -2.623344 2.082519
C 2.771749 -2.282246 0.175925
C 1.757749 -1.070027 -1.728392
C -3.553508 -1.824488 -0.767484
C 1.583547 -3.035007 0.311921
C 0.577542 -1.825869 -1.565616
C -4.376653 -0.826825 -1.390890
C -0.991477 0.406922 1.020500
C -3.904236 2.855454 -0.989629
C -1.715581 2.737568 0.525731
C -0.804050 1.801686 1.117195
C -1.757672 -3.940854 2.787944
H 1.877013 1.633826 -0.385094
H 3.091149 2.335652 -1.537416
H 4.607760 0.381842 1.881133
H 2.802077 0.441894 1.700155
H 1.969305 4.074221 -0.053558
H 3.762723 4.021156 0.125375
H 3.496410 2.121007 3.374945
H 4.700334 2.816411 2.226457
H 2.428091 4.002073 2.313871
H -0.729087 -4.457833 0.213721
H -1.431381 -3.629126 -1.198516
H -0.284564 -2.428065 2.243370
H -1.915935 -1.789478 2.555240
H 3.648290 -2.459707 0.808007
H 1.866818 -0.337937 -2.535106
H -3.810723 -2.878752 -0.921846
H 1.529256 -3.820029 1.075684
H -0.269699 -1.654398 -2.239160
H -5.214495 -1.134224 -2.025003
H -0.249761 -0.258197 1.473578
H -5.448870 1.879054 -2.127476
H -1.552444 3.816549 0.615825
H 0.085469 2.180997 1.637118
H -2.839432 -4.130989 2.679790
H -1.213779 -4.809401 2.373350
H -1.516036 -3.881072 3.865717


