%chk=000114028.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114028

0 1
 Br   3.128200      -1.263600      -2.540100    
 S    4.241700      -1.504000      0.4209000    
 N  -0.5135000     -0.1494000     -1.2000000E-02
 N   -4.113500      -1.053500      0.1105000    
 N    1.016700       1.595300     -0.5513000    
 C   -1.746900     -0.6142000      0.5764000    
 C   -2.861100     -0.5595000     -0.4610000    
 C   0.3847000      -1.131000     -0.6227000    
 C  -0.1616000       1.207600      4.0000002E-03
 C    1.726700      -1.275000      2.6300000E-02
 C   -3.950100      -2.425100      0.5907000    
 C   -5.189300     -0.9826000     -0.8776000    
 C   -1.050000       2.101100      0.5967000    
 C    1.884700      -1.358200       1.432400    
 C    2.915800      -1.340200     -0.6503000    
 C    3.209600      -1.486200       1.787100    
 C  -0.7151000       3.450400      0.6204000    
 C    1.308300       2.914800     -0.5093000    
 C   0.4847000       3.873200      5.8899999E-02
 H   -1.570300      -1.648700      0.8928000    
 H   -2.009700     -0.1081000       1.512300    
 H   -3.001500      0.4748000     -0.7978000    
 H   -2.577200      -1.141200      -1.348900    
 H   0.4719000     -0.8717000      -1.683500    
 H  -8.3700001E-02  -2.125000     -0.6224000    
 H   -3.371000      -2.467900       1.518300    
 H   -3.492100      -3.082400     -0.1575000    
 H   -4.924900      -2.855000      0.8533000    
 H   -6.141200      -1.296900     -0.4350000    
 H   -4.990500      -1.612600      -1.752300    
 H   -5.331000      4.8700001E-02  -1.220100    
 H   -2.004300       1.834100       1.031800    
 H    1.081800      -1.330700       2.158100    
 H    3.620700      -1.570800       2.783200    
 H   -1.389000       4.172700       1.071400    
 H    2.255100       3.192300     -0.9606000    
 H   0.7658000       4.920000      6.4999998E-02


%chk=000114028-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114028

0 1
Br 0.758778 -4.117413 -0.703682
S 2.997195 -3.239557 1.440077
N -0.336195 0.125233 -0.151869
N -3.852748 -1.349423 0.051871
N 0.923142 2.093962 -0.473267
C -1.466116 -0.634986 0.407219
C -2.671931 -0.705661 -0.565147
C 0.712275 -0.637924 -0.867315
C -0.234440 1.508257 -0.010490
C 1.653220 -1.371449 0.072016
C -3.667553 -2.796026 0.296653
C -5.090766 -1.081984 -0.711229
C -1.277156 2.294596 0.584981
C 2.581633 -0.673575 0.944808
C 1.755664 -2.745848 0.225379
C 3.360801 -1.498668 1.730340
C -1.094875 3.682745 0.700049
C 1.062468 3.442824 -0.360093
C 0.094673 4.288422 0.221010
H -1.099027 -1.649503 0.643435
H -1.801590 -0.192056 1.362055
H -2.953114 0.326229 -0.846982
H -2.352305 -1.224219 -1.507560
H 1.287985 0.088698 -1.464365
H 0.222485 -1.355842 -1.550221
H -2.818436 -2.971158 0.978330
H -3.482088 -3.377112 -0.643436
H -4.572644 -3.204701 0.779622
H -5.957949 -1.498665 -0.168141
H -5.083124 -1.525122 -1.739423
H -5.240951 0.007804 -0.809752
H -2.203460 1.834918 0.938304
H 2.643988 0.417359 0.952000
H 4.128941 -1.239558 2.456518
H -1.882739 4.293236 1.155441
H 2.001852 3.851421 -0.752274
H 0.263008 5.366247 0.293237


