%chk=000002427.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002427

0 1
 Br   5.486300       1.003900       2.283100    
 N   -4.781500     -0.5346000      0.4212000    
 N   -3.457900      -2.311500      0.2513000    
 N    1.395300     -0.5165000     -0.6894000    
 N   -1.192200       2.691400     -0.3457000    
 N    1.016300       1.803200     -0.7087000    
 C   -3.527400     -3.6899999E-02  0.1770000    
 C  -0.8516000      0.3176000     -0.3169000    
 C   -2.721600      -1.163100      7.5099997E-02
 C   -1.682900       1.448200     -0.2106000    
 C   -1.352700     -0.9938000     -0.1771000    
 C   -3.042100       1.266000      4.0500000E-02
 C   0.4935000      0.5706000     -0.5681000    
 C   -4.688500      -1.898200      0.4567000    
 C   -5.990900      0.2315000      0.6092000    
 C    2.762900     -0.6486000     -0.4026000    
 C   0.1294000       2.802600     -0.5870000    
 C    3.346000      0.1086000      0.6182000    
 C    3.553000      -1.537900      -1.137600    
 C    4.705500     -2.2399999E-02  0.9014000    
 C    4.912500      -1.669000     -0.8546000    
 C    5.488700     -0.9112000      0.1650000    
 H  -0.7249000      -1.875500     -0.2477000    
 H   -3.709400       2.118800      0.1281000    
 H   -5.543300      -2.536500      0.6346000    
 H   -5.854400      0.8858000       1.473900    
 H   -6.171700      0.8187000     -0.2947000    
 H   -6.829700     -0.4465000      0.7854000    
 H    1.034900      -1.264300      -1.275900    
 H   0.5159000       3.808800     -0.6941000    
 H    2.740500      0.7940000       1.207100    
 H    3.118100      -2.134400      -1.935900    
 H    5.522400      -2.360700      -1.428200    
 H    6.549500      -1.025200      0.3728000    


%chk=000002427-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002427

0 1
Br 6.228323 1.986173 0.072436
N -4.977132 -0.530476 0.054043
N -3.627925 -2.362654 -0.294492
N 1.461724 -0.562320 -0.177502
N -1.189895 2.651151 0.460769
N 1.063956 1.739070 0.228947
C -3.661261 -0.044358 0.091363
C -0.858926 0.210116 0.040134
C -2.825478 -1.206852 -0.129209
C -1.716957 1.368638 0.262873
C -1.431565 -1.078355 -0.153925
C -3.133039 1.232935 0.287482
C 0.580823 0.489100 0.034496
C -4.884280 -1.912392 -0.178261
C -6.197092 0.262027 0.225467
C 2.879844 -0.594151 -0.233874
C 0.145262 2.750503 0.432430
C 3.701765 0.555162 -0.072295
C 3.481425 -1.863452 -0.467771
C 5.096012 0.392591 -0.151001
C 4.881396 -1.983282 -0.539854
C 5.716412 -0.851480 -0.381897
H -0.839372 -1.984798 -0.322439
H -3.732798 2.130874 0.458112
H -5.774549 -2.535947 -0.252503
H -6.214730 0.744657 1.218966
H -6.268267 1.044247 -0.551243
H -7.075170 -0.397866 0.140297
H 1.025286 -1.473976 -0.319955
H 0.575890 3.744897 0.587804
H 3.228116 1.520986 0.106495
H 2.851916 -2.753916 -0.592602
H 5.333938 -2.963879 -0.720270
H 6.804346 -0.940073 -0.437221


