%chk=000131829.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131829

0 1
 Br  0.5063000      -2.892600      0.1751000    
 N    3.119600      -1.241200      0.2296000    
 N    3.402600       1.552600     -1.5799999E-02
 N   -1.694900     -0.7615000     -0.3942000    
 N   -3.993900     -0.8982000     -0.2342000    
 N   -3.012200       1.049000      0.3940000    
 C    2.003100     -0.4386000      1.2000001E-03
 C    2.144800      0.9612000     -0.1211000    
 C    4.431900     -0.6629000      4.9999999E-03
 C    4.481900      0.7617000      0.5466000    
 C  -0.3946000     -0.2129000     -0.3137000    
 C   0.7252000      -1.009100     -7.3299997E-02
 C    1.014000       1.746100     -0.3844000    
 C  -0.2492000       1.161900     -0.4770000    
 C   -5.141000     -0.1336000      0.1500000    
 C   -2.855100     -0.1682000     -6.8800002E-02
 C   -4.488500       1.186200      0.5809000    
 H    4.646900     -0.6670000      -1.070700    
 H    5.192400      -1.279700      0.4947000    
 H    4.390400      0.7547000       1.639700    
 H    5.442700       1.225500      0.3002000    
 H    3.011000      -2.248100      0.2383000    
 H    3.477900       2.562600     -3.0600000E-02
 H    1.111400       2.821200     -0.5172000    
 H   -5.678600     -0.6051000      0.9777000    
 H   -5.825200      1.2400000E-02 -0.6908000    
 H   -1.075000       1.818100     -0.7291000    
 H   -1.707600      -1.761300     -0.5749000    
 H   -4.856100       2.021300     -2.4700001E-02
 H   -4.703500       1.405000       1.632200    
 H   -4.042700      -1.847200     -0.5833000    


%chk=000131829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131829

0 1
Br 0.565358 -2.950282 -0.028919
N 3.216573 -1.238781 -0.008632
N 3.511765 1.535885 0.033590
N -1.696040 -0.778996 0.017317
N -4.073918 -1.001389 0.024163
N -3.193615 1.134381 0.035730
C 2.065713 -0.439337 0.003078
C 2.208821 0.991210 0.032515
C 4.531401 -0.657562 -0.297999
C 4.650978 0.702676 0.427457
C -0.421537 -0.161534 0.013774
C 0.752165 -0.967414 -0.000039
C 1.050138 1.796200 0.038352
C -0.247101 1.246100 0.022813
C -5.298869 -0.180681 0.029072
C -2.942170 -0.164270 0.025473
C -4.684699 1.276264 0.041821
H 4.687472 -0.495748 -1.385887
H 5.315544 -1.346056 0.066337
H 4.688614 0.519576 1.524235
H 5.589616 1.202478 0.126826
H 3.096224 -2.249522 -0.064537
H 3.592950 2.547205 0.130088
H 1.161855 2.887561 0.058731
H -5.920354 -0.377456 0.924125
H -5.917841 -0.362688 -0.870999
H -1.144490 1.869659 0.028621
H -1.684545 -1.800635 0.010152
H -5.005954 1.856001 -0.843260
H -5.000197 1.837521 0.940818
H -4.069858 -2.018066 0.006584


