%chk=000113682.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113682

0 1
 S    1.508700      0.2411000      0.8901000    
 N   6.1900001E-02   1.975800     -0.4939000    
 N    4.291300      -2.464100     -0.2744000    
 N    2.368300       2.540800     -5.2400000E-02
 C   -2.917100     -0.9164000      5.7500001E-02
 C  -0.9324000       1.009600     -0.3094000    
 C    2.815800     -0.5268000     -9.3000002E-02
 C   -2.749100      9.9699996E-02  0.9980000    
 C   -2.092700     -0.9697000      -1.066600    
 C   -1.756800       1.062800      0.8145000    
 C   -1.100300     -6.8000001E-03  -1.250000    
 C    3.235300      -1.853600      0.5277000    
 C   -3.978600      -1.945400      0.2534000    
 C    1.245600       1.753000     -1.4000000E-03
 H    2.442900     -0.6792000      -1.112000    
 H    3.680000      0.1434000     -0.1478000    
 H   -3.386500      0.1533000       1.876500    
 H   -2.215000      -1.755300      -1.807400    
 H   -1.636400       1.852400       1.551900    
 H  -0.4645000     -5.6100000E-02  -2.130300    
 H    3.613200      -1.702800       1.545200    
 H    2.386000      -2.544400      0.5807000    
 H   -3.687000      -2.903500     -0.1901000    
 H   -4.160300      -2.127700       1.318100    
 H   -4.913000      -1.614200     -0.2104000    
 H    3.946700      -2.642500      -1.216900    
 H    4.530800      -3.373300      0.1189000    
 H    2.358100       3.436000     -0.5290000    
 H    3.227800       2.272500      0.4137000    


%chk=000113682-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113682

0 1
S 1.783805 -0.114169 0.864353
N 0.029020 1.396544 -0.794665
N 5.367369 -2.128661 0.308087
N 2.256135 2.080710 -0.748558
C -3.577788 -0.761120 0.026761
C -1.131164 0.658813 -0.481539
C 3.582389 -0.434096 0.303987
C -2.676026 -0.454636 1.075995
C -3.237401 -0.327420 -1.283453
C -1.472591 0.243753 0.836456
C -2.045793 0.377552 -1.535411
C 3.973820 -1.872415 0.706848
C -4.875617 -1.506326 0.289510
C 1.232153 1.239081 -0.337799
H 3.621328 -0.308022 -0.791108
H 4.267448 0.279867 0.790888
H -2.918960 -0.763086 2.100451
H -3.920226 -0.542275 -2.115394
H -0.810531 0.490379 1.674278
H -1.794609 0.718562 -2.545137
H 3.901264 -1.974856 1.805336
H 3.237511 -2.581142 0.267290
H -4.982347 -2.380682 -0.379789
H -4.928057 -1.870996 1.330206
H -5.756542 -0.857725 0.118452
H 5.511660 -2.348835 -0.679222
H 5.915357 -2.714814 0.938656
H 2.018751 2.816238 -1.413154
H 3.152344 2.098377 -0.271125


