%chk=000103180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000103180

0 1
 Br  -3.189200       2.155600       2.121000    
 O    6.944200     -0.9074000      0.3382000    
 O    8.667200      -1.861800      -1.649100    
 O   -2.561300      -2.092600      -2.020400    
 O   -2.889800      -3.319000     -0.2296000    
 O   -7.879800     -0.9927000     -0.8972000    
 O   -8.025300      0.8251000      0.3249000    
 N    4.288400     -2.5500000E-02  0.7918000    
 N   -1.217900      0.3702000     -0.1857000    
 N   -1.812500     -0.2728000      0.7088000    
 N   -3.048500      -2.258100     -0.8776000    
 N   -7.352800     -0.1016000     -0.1882000    
 C    2.402100       1.271000     -0.1158000    
 C    2.906200      0.1251000      0.5207000    
 C    1.012100       1.370800     -0.3623000    
 C    4.825900      -1.178900       1.437300    
 C   0.1671000      0.3217000      3.4899998E-02
 C    2.052100     -0.9076000      0.9086000    
 C    3.247200       2.320100     -0.5130000    
 C   0.6852000     -0.8094000      0.6661000    
 C   0.5081000       2.516700     -0.9988000    
 C    6.326800      -1.023500       1.613900    
 C    2.729100       3.451300      -1.144100    
 C    1.362200       3.549500      -1.386500    
 C    8.352700     -0.7597000      0.4527000    
 C   -3.199500     -0.2237000      0.4876000    
 C   -3.807900      -1.204600     -0.2955000    
 C    8.954900     -0.6651000     -0.9360000    
 C   -3.967400      0.7974000       1.047400    
 C   -5.184100      -1.164500     -0.5190000    
 C   -5.952000     -0.1435000      4.0899999E-02
 C   -5.343600      0.8375000      0.8240000    
 H    4.930400      0.6944000      0.4902000    
 H    4.378700      -1.320700       2.427900    
 H    4.639100      -2.071400      0.8280000    
 H    2.401900      -1.812600       1.395500    
 H    4.320400       2.306900     -0.3525000    
 H   6.7900002E-02  -1.654100      0.9627000    
 H  -0.5541000       2.629400      -1.204300    
 H    6.548500     -0.1303000       2.210800    
 H    6.725200      -1.902000       2.134700    
 H    3.392700       4.256300      -1.446300    
 H   0.9597000       4.430600      -1.877700    
 H    8.761400      -1.633400      0.9736000    
 H    8.587300      0.1459000       1.022800    
 H    10.03990     -0.5376000     -0.8814000    
 H    8.515200      0.1694000      -1.491300    
 H   -5.638700      -1.939400      -1.133100    
 H   -5.927300       1.641000       1.268000    
 H    9.064400      -1.769800      -2.531900    


%chk=000103180-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000103180

0 1
Br -3.756874 -0.799390 3.584631
O 7.029102 -0.556337 0.584730
O 9.256565 -1.745451 -1.056581
O -2.966861 1.126782 -2.473289
O -2.351059 -1.041772 -2.086110
O -7.958088 0.406713 -1.268023
O -8.405814 -0.048357 0.927928
N 4.371137 -0.283389 0.846951
N -1.199994 0.251640 0.206886
N -2.005043 -0.360679 1.066444
N -2.971185 0.043447 -1.770789
N -7.588758 0.120971 -0.061117
C 2.474573 0.682287 -0.374540
C 3.014393 -0.164347 0.689713
C 1.045137 0.799704 -0.522677
C 5.059496 -1.119752 1.838091
C 0.165225 0.085438 0.394384
C 2.114891 -0.857016 1.557600
C 3.321709 1.397390 -1.279677
C 0.731253 -0.732825 1.411491
C 0.516915 1.607661 -1.576894
C 6.513583 -0.643038 1.955066
C 2.782812 2.187360 -2.300835
C 1.369543 2.288854 -2.451655
C 8.433925 -0.125740 0.519738
C -3.358129 -0.264351 0.731078
C -3.870073 -0.000184 -0.588528
C 8.933289 -0.322736 -0.903596
C -4.341520 -0.444149 1.758359
C -5.233993 0.153143 -0.857901
C -6.145925 -0.018098 0.203358
C -5.714335 -0.328112 1.514482
H 5.007875 0.093285 0.138584
H 4.573403 -1.035040 2.827053
H 5.037545 -2.185374 1.531899
H 2.510594 -1.509638 2.340284
H 4.412911 1.346978 -1.189313
H 0.048115 -1.265610 2.080275
H -0.568564 1.674710 -1.689584
H 6.562235 0.353765 2.445827
H 7.103781 -1.368295 2.551920
H 3.446534 2.726629 -2.984837
H 0.948574 2.899408 -3.257081
H 9.054349 -0.736405 1.207419
H 8.511227 0.943137 0.815977
H 9.836175 0.306492 -1.058244
H 8.144748 0.004795 -1.613209
H -5.598304 0.378825 -1.863379
H -6.455147 -0.453472 2.307214
H 9.370552 -1.967262 -2.013824


