%chk=000147081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147081

0 1
 S   0.3431000       1.635800      0.7910000    
 O  -0.1480000      0.8817000       1.987200    
 O   7.4699998E-02   3.324600      -1.239500    
 N    3.597800     -0.6157000     -0.1556000    
 N   -1.037200       2.485200      -1.335700    
 C    2.728800      0.2779000      0.6095000    
 C    1.429500      0.5144000     -0.1450000    
 C    2.953700      -1.914700     -0.3466000    
 C    4.885200     -0.7778000      0.5188000    
 C    3.816300      -2.836200      -1.192100    
 C    5.569100      0.5630000      0.7258000    
 C   -1.045900       1.581300     -0.4047000    
 C   -2.070100      0.5349000     -0.2097000    
 C   -1.913600     -0.6878000     -0.8379000    
 C   -3.162100      0.8020000      0.5971000    
 C   -3.988500      -1.425200      0.1564000    
 C   -2.880700      -1.675800     -0.6534000    
 C   -4.129200     -0.1861000      0.7817000    
 C   -5.023000      -2.481500      0.3530000    
 H    2.528300     -0.1241000       1.611700    
 H    3.186300       1.263900      0.7433000    
 H    1.616400      0.9545000      -1.129800    
 H   0.8507000     -0.4005000     -0.2613000    
 H    2.713200      -2.400400      0.6074000    
 H    2.024500      -1.821300     -0.9143000    
 H    4.782100      -1.291000       1.483300    
 H    5.571300      -1.367300     -9.7999997E-02
 H    4.177500      -2.337400      -2.098100    
 H    4.673000      -3.232700     -0.6384000    
 H    3.225300      -3.702400      -1.511100    
 H    5.556100       1.173500     -0.1838000    
 H    5.131000       1.135400       1.549200    
 H    6.620200      0.3991000      0.9903000    
 H   -1.064000     -0.8896000      -1.483200    
 H   -3.278200       1.764800       1.086600    
 H   -2.762600      -2.635300      -1.150100    
 H   -4.988700      2.2000000E-02   1.413400    
 H   -4.581400      -3.482300      0.2955000    
 H   -5.493500      -2.395400       1.338300    
 H   -5.798300      -2.395400     -0.4147000    
 H  -6.7900002E-02   3.924700      -1.990700    


%chk=000147081-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000147081

0 1
S 0.307309 1.532696 1.202556
O -0.119506 0.395251 2.355789
O 0.263786 3.159827 -1.121666
N 3.718006 -0.710884 0.297813
N -0.989953 2.382835 -1.211586
C 2.845753 0.256496 1.013370
C 1.620655 0.554757 0.136991
C 3.379370 -2.125561 0.614492
C 5.167862 -0.399436 0.388599
C 3.763435 -3.106760 -0.509079
C 5.574685 0.811395 -0.472792
C -1.077859 1.499412 -0.252046
C -2.158387 0.508281 -0.210088
C -2.704787 0.026646 -1.439256
C -2.687340 0.017007 1.016565
C -4.292329 -1.401600 -0.213932
C -3.754288 -0.906292 -1.434765
C -3.739255 -0.924155 0.999701
C -5.421363 -2.415516 -0.222413
H 2.510990 -0.134736 2.000553
H 3.405562 1.190270 1.201106
H 1.846358 1.192955 -0.729801
H 1.092325 -0.364238 -0.162512
H 3.849271 -2.446958 1.577841
H 2.285910 -2.179430 0.772272
H 5.485699 -0.233889 1.449099
H 5.722041 -1.285700 0.030583
H 3.268333 -2.817202 -1.452347
H 4.853687 -3.127790 -0.689095
H 3.450100 -4.133784 -0.244185
H 5.320405 0.626049 -1.530909
H 5.058279 1.735706 -0.154938
H 6.662841 0.993537 -0.394467
H -2.292968 0.396956 -2.383700
H -2.267325 0.355954 1.966656
H -4.164734 -1.262447 -2.387785
H -4.136681 -1.293539 1.952295
H -5.112460 -3.353884 -0.720952
H -5.745858 -2.669014 0.800972
H -6.301108 -2.031939 -0.772813
H 0.134739 3.851525 -1.820325


