%chk=000134768.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134768

0 1
 Br  -2.058800      -3.695200      0.9176000    
 Br  -6.760000     -0.8415000     -0.4476000    
 O  -0.2951000      -1.445600       2.203000    
 O    3.912000      -2.008600      -1.884700    
 O    5.660600      -1.283400      0.1508000    
 N   -1.422200       2.104300      4.7200002E-02
 N  -0.6944000      -1.046900     -7.8199998E-02
 C  -0.3004000       2.947400     -0.3617000    
 C  -6.8000004E-02   4.046700      0.6807000    
 C   0.9553000       2.088900     -0.5491000    
 C    1.146700       4.902600      0.3257000    
 C    2.168400       2.947300     -0.9031000    
 C    2.396900       4.050400      0.1263000    
 C   -1.923100       1.332100      -1.089700    
 C   -2.492200       2.919300      0.6220000    
 C   -2.718900      0.1332000     -0.6464000    
 C   -2.092100      -1.012900     -0.1574000    
 C   -4.110000      0.1840000     -0.7332000    
 C   -2.856500      -2.108200      0.2450000    
 C   -4.874500     -0.9112000     -0.3310000    
 C   -4.247600      -2.057300      0.1581000    
 C   9.5500000E-02  -1.253900       1.056500    
 C    1.562000      -1.262700      0.8142000    
 C    2.060800      -1.634900     -0.4342000    
 C    2.439700     -0.8987000       1.835500    
 C    3.437000      -1.643000     -0.6613000    
 C    3.815900     -0.9068000       1.608500    
 C    4.314500      -1.279000      0.3600000    
 C    2.948400      -2.366400      -2.873500    
 H  -0.5330000       3.446500      -1.314100    
 H   9.0200000E-02   3.610900       1.676400    
 H  -0.9063000       4.749200      0.7468000    
 H   0.8396000       1.343900      -1.340800    
 H    1.171300       1.550100      0.3802000    
 H    1.325700       5.637200       1.119100    
 H   0.9409000       5.467400     -0.5921000    
 H    2.022500       3.395500      -1.893700    
 H    3.060800       2.314100     -0.9666000    
 H    3.229900       4.686500     -0.1934000    
 H    2.687500       3.600300       1.083700    
 H   -1.137300      0.9755000      -1.763200    
 H   -2.536100       1.971200      -1.742700    
 H   -2.807400       3.735900     -3.8899999E-02
 H   -2.228300       3.315500       1.608700    
 H   -3.383000       2.317400      0.8313000    
 H   -4.600000       1.076600      -1.115800    
 H  -0.2204000     -0.5982000     -0.8563000    
 H   -4.846300      -2.909900      0.4712000    
 H    1.353600      -1.945400      -1.193700    
 H    2.070700     -0.5996000       2.813000    
 H    4.488200     -0.6195000       2.412500    
 H    6.109000      -1.003700      0.9674000    
 H    3.501600      -2.618800      -3.784300    
 H    2.293900      -1.524600      -3.124800    
 H    2.387900      -3.262600      -2.586000    


%chk=000134768-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134768

0 1
Br -2.278656 -3.919168 -0.075797
Br -7.110671 -0.874953 -0.807787
O -1.032758 -2.159302 2.182528
O 4.170089 -0.745622 -0.763281
O 5.311630 -0.900498 1.646654
N -0.998696 1.758256 0.012605
N -0.971922 -0.921540 0.165796
C -0.114679 2.813530 -0.609173
C 1.085872 3.156715 0.308155
C 0.413115 2.343201 -1.992259
C 2.028288 4.199498 -0.341216
C 1.348879 3.389190 -2.644856
C 2.538453 3.732383 -1.721554
C -2.284579 1.577512 -0.728024
C -1.285150 1.967773 1.461238
C -3.030291 0.266338 -0.443602
C -2.359451 -0.961855 -0.113969
C -4.427483 0.275780 -0.647892
C -3.128084 -2.162072 -0.140654
C -5.163636 -0.919514 -0.562824
C -4.525755 -2.151283 -0.333164
C -0.375678 -1.546293 1.289725
C 1.112298 -1.373009 1.363058
C 1.903795 -1.118288 0.209038
C 1.738707 -1.491151 2.624991
C 3.303084 -0.970403 0.311773
C 3.133831 -1.330294 2.737625
C 3.923032 -1.065046 1.596369
C 3.586276 -0.753620 -2.105964
H -0.711659 3.750492 -0.759361
H 1.648684 2.224329 0.519407
H 0.732646 3.554505 1.276364
H -0.417367 2.121148 -2.687978
H 0.967221 1.394780 -1.836355
H 2.878272 4.395119 0.339466
H 1.485592 5.160434 -0.459918
H 0.774356 4.313462 -2.861582
H 1.709548 3.004709 -3.618237
H 3.170705 4.514568 -2.183375
H 3.178716 2.835203 -1.591934
H -2.055395 1.598239 -1.808829
H -2.977451 2.430182 -0.534555
H -1.729127 2.968335 1.663926
H -0.368845 1.852308 2.059461
H -2.002361 1.198497 1.794391
H -4.933802 1.219501 -0.875097
H -0.575242 0.038962 -0.057889
H -5.088897 -3.087081 -0.325832
H 1.415292 -1.086887 -0.769060
H 1.119701 -1.716189 3.498412
H 3.619166 -1.415082 3.718902
H 5.637326 -1.019186 2.574195
H 4.437635 -0.607593 -2.786464
H 2.858811 0.072309 -2.236900
H 3.091714 -1.719927 -2.324802


