%chk=000003790.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003790

0 1
 Br  -6.409200     -0.1017000      0.7759000    
 O   0.3507000     -1.4200000E-02  0.1414000    
 O    2.347900     -0.2274000       1.918500    
 N    1.694500      3.6400001E-02 -0.2779000    
 C   -1.918100      6.1200000E-02 -0.5723000    
 C   -2.579100      -1.163100     -0.5089000    
 C   -2.584600       1.237400     -0.2371000    
 C   -3.914200      -1.211600     -0.1081000    
 C   -3.919700       1.189000      0.1638000    
 C   -4.584500     -3.5500001E-02  0.2282000    
 C  -0.4819000      0.1134000      -1.003200    
 C   -1.857100      -2.423300     -0.8701000    
 C   -1.868700       2.549800     -0.3075000    
 C   -4.604400      -2.539600     -4.7800001E-02
 C   -4.615700       2.466900      0.5188000    
 C    2.652200     -7.4400000E-02  0.7215000    
 C    4.045900     -2.4400000E-02  0.3086000    
 C    5.023900     -0.6615000       1.072200    
 C    4.404000      0.6599000     -0.8528000    
 C    6.360000     -0.6144000      0.6744000    
 C    5.740100      0.7071000      -1.250600    
 C    6.718100      6.9899999E-02 -0.4871000    
 H  -0.2524000     -0.6729000      -1.733200    
 H  -0.2557000       1.043700      -1.538900    
 H  -0.7982000      -2.392300     -0.5952000    
 H   -2.229900      -3.296300     -0.3255000    
 H   -1.941600      -2.614600      -1.944500    
 H  -0.8095000       2.463100     -4.5899998E-02
 H   -2.245200       3.277500      0.4180000    
 H   -1.954700       2.975700      -1.312200    
 H   -4.381700      -3.038000      0.9013000    
 H   -5.689200      -2.484200     -0.1604000    
 H   -4.302400      -3.190400     -0.8759000    
 H   -4.317900       3.287100     -0.1437000    
 H   -4.393800       2.742300       1.555000    
 H   -5.700600       2.432900      0.3975000    
 H    1.873800      0.1130000      -1.272900    
 H    4.765000      -1.203800       1.977900    
 H    3.676700       1.190100      -1.460900    
 H    7.121600      -1.111100       1.268400    
 H    6.020200       1.244900      -2.151700    
 H    7.758600      0.1077000     -0.7962000    


%chk=000003790-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003790

0 1
Br -6.527819 0.062923 0.643585
O 0.354655 -0.715706 0.229328
O 1.945381 1.588596 0.331602
N 1.764268 -0.700322 -0.080750
C -1.878823 -0.060405 -0.471536
C -2.716705 -1.156879 -0.829305
C -2.395455 1.054732 0.251654
C -4.112505 -1.117348 -0.533166
C -3.789323 1.114635 0.562352
C -4.598221 0.023879 0.155129
C -0.430410 -0.058988 -0.894154
C -2.140183 -2.395762 -1.504162
C -1.483757 2.179449 0.723850
C -5.008613 -2.269507 -0.951837
C -4.343294 2.318200 1.302863
C 2.497258 0.473002 0.080803
C 3.984084 0.314947 -0.099412
C 4.820608 1.284049 0.511263
C 4.567771 -0.732937 -0.860087
C 6.222002 1.192421 0.386290
C 5.971609 -0.820466 -0.985284
C 6.801710 0.136966 -0.357669
H -0.249679 -0.641324 -1.814004
H -0.032262 0.959267 -1.024266
H -1.063574 -2.503942 -1.301107
H -2.630860 -3.311094 -1.132619
H -2.283521 -2.372629 -2.602900
H -0.423585 1.884203 0.754114
H -1.761621 2.502891 1.741793
H -1.567838 3.070539 0.069592
H -4.962661 -3.099888 -0.219451
H -6.061767 -1.958972 -1.023178
H -4.705358 -2.675177 -1.931550
H -3.838851 3.245942 0.985707
H -4.191845 2.218435 2.395984
H -5.423772 2.439552 1.133693
H 2.181853 -1.629085 0.013520
H 4.349511 2.099513 1.069684
H 3.935709 -1.454231 -1.391397
H 6.862027 1.941843 0.864281
H 6.416523 -1.624809 -1.581202
H 7.890533 0.067786 -0.457151


