%chk=000038545.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038545

0 1
 I   -5.353200      -2.068300      0.2807000    
 Br  0.5081000      -2.480600      -1.108400    
 N  -0.7654000      0.8980000     -0.1987000    
 C   -2.188600       1.049500      0.1018000    
 C  -0.1272000      1.8500000E-02  0.7800000    
 C  -0.1057000       2.203000     -0.2197000    
 C   -2.892500     -0.3058000      3.7200000E-02
 C    1.327600     -0.2082000      0.4659000    
 C  -0.7561000       3.130800      -1.232000    
 C   -4.384100     -0.1632000      0.3408000    
 C    1.740800      -1.259400     -0.3430000    
 C    2.252100      0.6727000       1.014500    
 C    3.099400      -1.432700     -0.6078000    
 C    3.610600      0.4991000      0.7498000    
 C    4.034300     -0.5534000     -6.1299998E-02
 H   -2.341800       1.509800       1.086700    
 H   -2.688600       1.681400     -0.6392000    
 H  -0.5918000     -0.9625000      0.8772000    
 H  -0.2111000      0.4486000       1.789800    
 H  -0.1014000       2.684900      0.7660000    
 H   0.9276000       2.112900     -0.5655000    
 H   -2.749800     -0.7555000     -0.9538000    
 H   -2.502000      -1.009800      0.7763000    
 H  -0.9141000       2.636800      -2.196900    
 H   -1.708100       3.537800     -0.8770000    
 H  -0.1019000       3.991700      -1.412200    
 H   -4.854400      0.5052000     -0.3890000    
 H   -4.526200      0.2833000       1.331500    
 H    1.945200       1.488400       1.663300    
 H    3.448700      -2.247100      -1.237400    
 H    4.339000       1.181200       1.178500    
 H    5.092100     -0.6889000     -0.2665000    


%chk=000038545-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038545

0 1
I -5.492468 -2.138982 -0.246306
Br 0.271710 -2.183483 -1.148205
N -0.801043 1.015298 0.054663
C -2.252136 1.014280 0.369980
C -0.019508 0.249865 1.064417
C -0.254269 2.376488 -0.193908
C -2.952981 -0.306998 -0.045307
C 1.393624 -0.088170 0.610326
C -0.700985 2.967351 -1.544512
C -4.445139 -0.251632 0.295303
C 1.697311 -1.092485 -0.343876
C 2.494577 0.612845 1.172848
C 3.020578 -1.379094 -0.740711
C 3.827497 0.343460 0.794735
C 4.090983 -0.654025 -0.169839
H -2.435187 1.211200 1.458845
H -2.722481 1.847237 -0.183184
H -0.567339 -0.688337 1.265822
H 0.045303 0.804555 2.035816
H -0.515869 3.081482 0.637728
H 0.846907 2.291655 -0.201986
H -2.803175 -0.458076 -1.128324
H -2.485592 -1.168584 0.463950
H -0.419053 2.284349 -2.364286
H -1.792894 3.130876 -1.595071
H -0.212155 3.944920 -1.713211
H -4.986355 0.524904 -0.268009
H -4.637195 -0.139549 1.374433
H 2.286123 1.382936 1.925824
H 3.213354 -2.163264 -1.478822
H 4.650972 0.904540 1.248864
H 5.118384 -0.877360 -0.476398


