%chk=000060391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060391

0 1
 Br  -4.068900       1.148000       2.506000    
 Br  -3.125800       3.282300      -2.653400    
 O    1.726200      -2.355500     -0.8161000    
 O  -0.6436000      -1.539500      -2.274300    
 O    3.189400      -1.834200      0.8895000    
 N   -1.037700      -2.416200     -0.1397000    
 N   -2.347700      -1.187400       1.418300    
 N    3.644900      0.5912000     -0.4150000    
 C  -0.2629000      -3.623900     -0.4213000    
 C   -1.647500      -2.230800       1.099300    
 C   -1.146400      -1.456000      -1.157100    
 C   -1.942400     -0.2591000     -0.8116000    
 C    1.196500      -3.425400     -4.4300001E-02
 C   -2.509300     -0.1758000      0.4627000    
 C   -2.122800      0.7688000      -1.744100    
 C   -1.484800      -3.311100       2.142300    
 C    3.175000     -0.5445000      -1.168800    
 C   -3.263200      0.9557000      0.7944000    
 C    2.729100      -1.631200     -0.2258000    
 C    2.753300       1.513100      0.1537000    
 C   -2.876500       1.889800      -1.399600    
 C   -3.446200       1.983800     -0.1316000    
 C    5.088000      0.7662000     -0.2356000    
 C    3.196100       2.788300      0.5194000    
 C    1.414400       1.164600      0.3588000    
 C    2.309600       3.705300       1.084100    
 C   0.5279000       2.081600      0.9234000    
 C   0.9756000       3.352000       1.286100    
 H  -0.3308000      -3.835800      -1.495100    
 H  -0.6764000      -4.490300      0.1004000    
 H    1.763200      -4.332100     -0.2814000    
 H    1.290600      -3.230100       1.028100    
 H    2.354800     -0.2537000      -1.836500    
 H    3.964400     -0.9614000      -1.805100    
 H   -1.678700      0.6993000      -2.734000    
 H  -0.4338000      -3.536000       2.326100    
 H   -2.005000      -4.217900       1.821000    
 H   -1.929700      -2.986000       3.088400    
 H   -4.033400       2.860200      0.1344000    
 H    5.633000     -0.1422000     -0.5161000    
 H    5.336300      0.9703000      0.8119000    
 H    5.460800       1.578800     -0.8679000    
 H    4.222700       3.109400      0.3691000    
 H    1.012900      0.1929000      0.1016000    
 H    2.657000       4.695300       1.365000    
 H  -0.5047000       1.810900       1.100600    
 H   0.2857000       4.064600       1.728800    


%chk=000060391-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060391

0 1
Br -4.672328 -0.245162 3.231341
Br -3.110196 3.786569 -0.605675
O 2.215515 -2.693460 -0.668260
O -0.295665 -0.915721 -1.691889
O 1.754371 -1.218305 1.088677
N -1.030369 -2.515343 -0.137497
N -2.638180 -1.988969 1.575079
N 3.674033 0.661230 -0.076009
C -0.141712 -3.514588 -0.787228
C -1.826279 -2.849451 0.977729
C -1.036225 -1.198627 -0.701198
C -1.958111 -0.251847 -0.049296
C 1.243230 -3.674990 -0.128437
C -2.725591 -0.686473 1.080411
C -2.055956 1.068522 -0.553848
C -1.779384 -4.262757 1.510440
C 3.350462 -0.589121 -0.733693
C -3.599491 0.266931 1.688619
C 2.347340 -1.475429 0.023402
C 2.955847 1.846823 -0.340127
C -2.932745 1.960162 0.071374
C -3.709233 1.576176 1.195726
C 4.666215 0.630531 1.006959
C 3.363298 3.079148 0.258031
C 1.823674 1.868183 -1.212990
C 2.685210 4.280912 -0.030941
C 1.165063 3.081903 -1.497265
C 1.585932 4.301222 -0.918360
H 0.004540 -3.183735 -1.829710
H -0.656073 -4.489654 -0.795684
H 1.669808 -4.654386 -0.399886
H 1.193931 -3.568488 0.969868
H 2.940862 -0.416393 -1.744663
H 4.264885 -1.195033 -0.881639
H -1.442843 1.350947 -1.412463
H -0.753808 -4.591083 1.754217
H -2.203880 -4.986709 0.789033
H -2.388642 -4.289354 2.424485
H -4.384535 2.290190 1.673113
H 5.055521 -0.394813 1.117909
H 4.220403 0.929407 1.976027
H 5.525772 1.298095 0.796006
H 4.213584 3.105539 0.945316
H 1.422264 0.946077 -1.644972
H 3.024519 5.209676 0.442947
H 0.302576 3.071723 -2.175117
H 1.061590 5.236223 -1.140859


