%chk=000147062.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147062

0 1
 S    4.033500      0.4035000     -0.3002000    
 O   -3.779700       1.117300       1.204800    
 N   0.3014000      0.7369000     -0.7017000    
 N   -1.098300      -1.252100     -0.7133000    
 N   -1.132900       2.101200      0.3561000    
 N    1.020100       2.947400     -0.3198000    
 N   -3.245600     -0.9575000      0.3209000    
 N   -2.585900      -3.018000     -0.6156000    
 C  -0.8173000      2.3600001E-02 -0.4358000    
 C    1.493400      0.2691000      -1.369700    
 C   -1.683300      0.8594000      0.2068000    
 C   6.2399998E-02   1.996800     -0.2000000    
 C    2.486400     -0.2954000     -0.3901000    
 C   -2.985700      0.3838000      0.6285000    
 C   -2.352300      -1.702200     -0.3047000    
 C    2.306300      -1.335200      0.4707000    
 C    3.480700      -1.576300       1.240600    
 C    4.496700     -0.7024000      0.9224000    
 H    1.900800       1.082900      -1.978800    
 H    1.197400     -0.5145000      -2.078000    
 H  -0.4581000      -1.878400      -1.190200    
 H    1.396900      -1.913500      0.5617000    
 H   0.8705000       3.886200      3.6600001E-02
 H    1.930300       2.784000     -0.7364000    
 H    3.575900      -2.352500       1.988900    
 H    5.488900     -0.6605000       1.349100    
 H   -1.891100      -3.579800      -1.095600    
 H   -3.462000      -3.467200     -0.3721000    


%chk=000147062-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147062

0 1
S 3.865790 -1.141062 -1.295811
O -4.108033 0.810769 0.929197
N 0.335187 0.932463 -0.569425
N -0.843771 -1.276781 -0.624690
N -1.372848 2.192975 0.306903
N 0.730579 3.327550 -0.215758
N -3.153370 -1.176952 0.102220
N -2.217941 -3.208283 -0.608332
C -0.757300 0.087902 -0.378430
C 1.580492 0.618385 -1.274995
C -1.808683 0.857761 0.131951
C -0.102511 2.211609 -0.116113
C 2.468180 -0.323185 -0.484990
C -3.106412 0.226215 0.436473
C -2.113368 -1.846995 -0.360751
C 2.403707 -0.669356 0.856889
C 3.448379 -1.577481 1.275086
C 4.313899 -1.930747 0.255686
H 2.086621 1.582362 -1.471447
H 1.341636 0.184644 -2.267363
H -0.006976 -1.848778 -0.760248
H 1.633245 -0.284585 1.530288
H 0.234915 4.216638 -0.140758
H 1.645444 3.303576 0.238414
H 3.547235 -1.951716 2.296591
H 5.181469 -2.587615 0.280068
H -1.553192 -3.718269 -1.184673
H -3.122973 -3.624442 -0.400881


