%chk=000124932.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124932

0 1
 S   -5.742400      -2.332600     -0.4877000    
 N    4.715900      0.9728000     -0.1409000    
 N  -0.8500000      0.7370000     -0.6982000    
 N   -1.330600      0.3614000      0.3769000    
 N   -6.893000     -0.1309000      0.2057000    
 N    7.199700      -3.168900      0.3406000    
 C    5.532200     -0.1894000     -0.4305000    
 C    3.313700      0.9135000     -0.2812000    
 C    5.357700       2.192300      0.3081000    
 C    5.713200      -1.050800      0.8148000    
 C    2.705400     -0.2647000     -0.7140000    
 C    2.535300       2.033100      1.2500000E-02
 C   0.5473000      0.7964000     -0.5583000    
 C    1.318700     -0.3234000     -0.8529000    
 C    1.148700       1.974300     -0.1263000    
 C   -4.726700      -1.005000     -6.4599998E-02
 C   -5.525200      9.0000004E-02  0.2792000    
 C   -2.726200      0.2663000      0.3428000    
 C   -3.324500     -0.9373000     -3.9099999E-02
 C   -4.895300       1.294500      0.6612000    
 C   -3.499600       1.369000      0.6887000    
 C    6.544100      -2.234300      0.5485000    
 C   -7.118700      -1.363400     -0.1855000    
 H    6.526700      0.1505000     -0.7546000    
 H    5.183400     -0.7672000      -1.294100    
 H    5.180300       3.015000     -0.3934000    
 H    6.444400       2.069500      0.3811000    
 H    5.011000       2.478600       1.307300    
 H    6.174100     -0.4576000       1.614100    
 H    4.739200      -1.377500       1.197300    
 H    3.247300      -1.175700     -0.9403000    
 H    2.960600       2.972700      0.3511000    
 H   0.8516000      -1.246000      -1.187300    
 H   0.5492000       2.851300      0.1035000    
 H   -2.721300      -1.799700     -0.3093000    
 H   -5.489800       2.162000      0.9336000    
 H   -3.026200       2.302000      0.9854000    
 H   -8.120500      -1.750600     -0.3111000    


%chk=000124932-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124932

0 1
S -5.815221 -2.322642 -0.616980
N 4.811116 0.976055 -0.182403
N -0.790568 0.001161 -0.161942
N -1.596094 0.977059 0.194729
N -7.151244 -0.106114 0.146698
N 7.783161 -2.949761 -0.031922
C 5.757380 -0.084813 -0.541058
C 3.429956 0.744492 -0.160816
C 5.353834 2.265005 0.280734
C 6.062387 -1.039538 0.664940
C 2.867515 -0.521590 -0.531383
C 2.524200 1.788624 0.232107
C 0.590117 0.323243 -0.135022
C 1.479851 -0.716581 -0.519945
C 1.141451 1.583585 0.242891
C -4.877257 -0.823285 -0.196486
C -5.782069 0.230781 0.181545
C -2.985319 0.636330 0.162380
C -3.489788 -0.641402 -0.212209
C -5.263384 1.495591 0.552282
C -3.874000 1.688969 0.540676
C 7.009988 -2.102562 0.298643
C -7.333918 -1.349937 -0.234723
H 6.701274 0.375600 -0.879277
H 5.372976 -0.676095 -1.390175
H 4.996438 3.103007 -0.348083
H 6.453106 2.240249 0.216254
H 5.077183 2.479823 1.331924
H 6.482453 -0.453611 1.503685
H 5.121435 -1.495247 1.024725
H 3.507223 -1.355187 -0.834315
H 2.912530 2.767647 0.525349
H 1.050182 -1.682224 -0.806578
H 0.456929 2.384138 0.539982
H -2.781083 -1.423813 -0.495794
H -5.954931 2.292645 0.838811
H -3.431621 2.650100 0.819703
H -8.306488 -1.832502 -0.335847


