%chk=000147706.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147706

0 1
 Br   1.581200      -4.432100      0.2115000    
 N   -3.535400       1.620200     -0.2673000    
 N    2.394500      0.8866000      0.4824000    
 C   -1.989100     -0.3514000     -0.5014000    
 C   -2.207500       1.092100      0.1324000    
 C   -3.127500      -1.290400     -8.0200002E-02
 C    4.655600       1.068600     -0.4760000    
 C   -1.034900       2.084200     -0.2267000    
 C   -4.487300     -0.6772000     -0.4214000    
 C  -0.6095000     -0.8937000     -0.1664000    
 C   0.4028000      4.9199998E-02  5.2000001E-02
 C   0.2884000       1.453400      4.2199999E-02
 C   -4.616400      0.7253000      0.1829000    
 C    6.126300       1.180900     -0.3178000    
 C    5.510000     -0.1015000     -0.7951000    
 C    3.804600       1.009900      0.7810000    
 C    1.711800     -0.3000000      0.3252000    
 C    1.540100       1.956500      0.3095000    
 C   -5.620700      -1.580700      6.3699998E-02
 C  -0.2164000      -2.237900     -0.1249000    
 C   -3.790600       2.969100      0.2468000    
 C    2.108000      -1.634900      0.3915000    
 C    1.112200      -2.596000      0.1560000    
 H   -2.019900     -0.2463000      -1.596200    
 H   -2.191200      0.9746000       1.228200    
 H   -3.039000      -2.256000     -0.5924000    
 H   -3.064400      -1.495600      0.9969000    
 H    4.207400       1.633700      -1.283400    
 H   -1.111600       3.000300      0.3696000    
 H   -1.091600       2.360400      -1.286800    
 H   -4.568200     -0.5959000      -1.514200    
 H   -5.584000       1.139000     -0.1299000    
 H   -4.633300      0.6647000       1.279800    
 H    6.545600       1.196600      0.6807000    
 H    6.671000       1.776400      -1.040200    
 H    5.636900     -0.3645000      -1.838200    
 H    5.528000     -0.9476000     -0.1196000    
 H    3.935400       1.939800       1.347800    
 H    4.092700      0.1877000       1.445700    
 H    1.897800       2.974000      0.3931000    
 H   -6.595000      -1.161700     -0.2089000    
 H   -5.545500      -2.575000     -0.3891000    
 H   -5.596500      -1.701400       1.152000    
 H  -0.9475000      -3.019100     -0.3170000    
 H   -4.806800       3.295200     -4.8000002E-03
 H   -3.127400       3.704400     -0.2192000    
 H   -3.674600       3.024200       1.335000    
 H    3.133800      -1.913800      0.6053000    


%chk=000147706-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147706

0 1
Br 1.623225 -4.471174 0.479819
N -3.535815 1.594934 -0.253281
N 2.457363 0.957671 0.586335
C -1.968314 -0.338983 -0.456748
C -2.199780 1.084401 0.177637
C -3.118701 -1.304227 -0.092054
C 4.739423 1.229623 -0.429424
C -1.073635 2.100538 -0.204616
C -4.493069 -0.715239 -0.473767
C -0.587017 -0.885988 -0.091310
C 0.421229 0.077390 0.118422
C 0.281758 1.504043 0.081866
C -4.633854 0.682367 0.158222
C 6.238522 0.897243 -0.367751
C 5.272993 -0.028748 -1.125920
C 3.898306 1.126641 0.840124
C 1.773018 -0.255646 0.427523
C 1.542445 2.020686 0.371971
C -5.651224 -1.638952 -0.044557
C -0.208659 -2.239251 0.024963
C -3.824025 2.978157 0.188856
C 2.168548 -1.611323 0.537436
C 1.146947 -2.558652 0.333342
H -1.994766 -0.179772 -1.557590
H -2.172851 0.956700 1.295138
H -2.975344 -2.274838 -0.605433
H -3.094900 -1.510539 0.998851
H 4.449437 2.058775 -1.085423
H -1.207212 3.043260 0.354838
H -1.189169 2.341398 -1.281873
H -4.521825 -0.582017 -1.574756
H -5.591441 1.136989 -0.159309
H -4.673545 0.569739 1.275996
H 6.645488 0.539574 0.584231
H 6.932245 1.514435 -0.945010
H 5.309575 -0.036484 -2.218664
H 5.040071 -1.001830 -0.682789
H 4.030358 2.041879 1.448413
H 4.246667 0.276765 1.457279
H 1.882041 3.051994 0.460429
H -6.631991 -1.222281 -0.341868
H -5.554376 -2.638160 -0.508308
H -5.660699 -1.777671 1.053899
H -0.928520 -3.049313 -0.115732
H -4.848846 3.244067 -0.125699
H -3.137516 3.696768 -0.287002
H -3.760262 3.112632 1.298871
H 3.189995 -1.923281 0.768525


