%chk=000063369.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063369

0 1
 Br   4.957000     -0.6554000       1.828600    
 O  -0.3510000      -2.016300     -0.3581000    
 N   9.7199999E-02  0.2890000     -0.1747000    
 N   -1.723800       1.793900      0.1078000    
 C    1.502300      8.8000000E-02 -0.4001000    
 C  -0.4513000       1.560900      6.6000000E-03
 C   -2.173300     -0.6038000     -4.2599998E-02
 C  -0.7245000     -0.8581000     -0.1876000    
 C    2.366300     -0.1451000      0.6639000    
 C   -2.612700      0.7149000      7.4199997E-02
 C    1.980800      0.1322000      -1.705000    
 C   -3.087700      -1.663800     -4.8500001E-02
 C    3.726200     -0.3368000      0.4203000    
 C   0.4536000       2.766700      0.1575000    
 C   -3.985500      0.9641000      0.1864000    
 C    1.826000     -0.1863000       2.060600    
 C    3.340800     -5.9500001E-02  -1.948700    
 C    4.213500     -0.2940000     -0.8861000    
 C   -4.452200      -1.401900      6.4599998E-02
 C   -4.901700     -8.8699996E-02  0.1809000    
 H    1.309400      0.3146000      -2.539900    
 H   -2.758300      -2.694900     -0.1422000    
 H    1.079800       2.877000     -0.7318000    
 H    1.097200       2.638700       1.031800    
 H  -0.1353000       3.679700      0.2855000    
 H   -4.350300       1.984000      0.2828000    
 H    2.304500      0.5843000       2.674900    
 H   0.7505000     -9.3999999E-03   2.137800    
 H    2.007100      -1.170200       2.507000    
 H    3.720100     -2.5800001E-02  -2.965800    
 H    5.269900     -0.4404000      -1.096000    
 H   -5.164800      -2.221500      6.0400002E-02
 H   -5.964500      0.1163000      0.2692000    


%chk=000063369-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063369

0 1
Br 4.964790 -0.790683 1.899103
O -0.207442 -2.013042 -0.266456
N 0.075212 0.320770 -0.193438
N -1.771757 1.844394 0.081618
C 1.507727 0.131294 -0.387211
C -0.473610 1.619699 -0.055086
C -2.181591 -0.605678 -0.029470
C -0.738940 -0.870569 -0.170214
C 2.339156 -0.176991 0.727559
C -2.648829 0.742637 0.087915
C 2.017113 0.238933 -1.698586
C -3.102118 -1.686214 -0.011203
C 3.717873 -0.351389 0.438911
C 0.477676 2.791740 -0.053094
C -4.044411 0.983790 0.220584
C 1.779847 -0.329621 2.124093
C 3.394174 0.058323 -1.935469
C 4.257435 -0.238009 -0.857595
C -4.477302 -1.433001 0.119280
C -4.946162 -0.093071 0.234989
H 1.328346 0.447406 -2.523541
H -2.708376 -2.703824 -0.102049
H 1.012716 2.887125 -1.014678
H 1.246759 2.690756 0.733886
H -0.110271 3.703193 0.124524
H -4.381103 2.020942 0.309518
H 2.347777 0.277631 2.851184
H 0.719512 -0.038259 2.170910
H 1.856144 -1.382448 2.452548
H 3.797560 0.137221 -2.949669
H 5.327968 -0.385791 -1.024174
H -5.190550 -2.263755 0.132308
H -6.020020 0.098890 0.336703


