%chk=000187246.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187246

0 1
Br -1.030412 -1.751497 -2.403449
O -4.067362 -0.845947 1.011629
O -2.552989 1.760662 0.163956
O -5.456755 0.143661 -0.481257
O -2.096823 1.205851 -1.994493
C -2.914670 -0.677521 0.121687
C -2.100333 0.491797 0.707718
C -2.173530 -2.008552 0.233362
C 0.017638 -0.765409 0.042554
C -0.805842 -1.926877 -0.429995
C -0.602644 0.367667 0.556259
C 1.445835 -0.819010 -0.044528
C 2.216533 0.278589 0.407170
C 0.176917 1.468782 0.992319
C 1.550937 1.424357 0.921148
C 3.671813 0.222491 0.335816
C 2.128250 -1.972092 -0.594393
C 4.297067 -0.927510 -0.199343
C 3.481840 -2.024947 -0.669457
C 4.490321 1.292800 0.789521
C -5.300134 -0.375581 0.595679
C -2.510233 2.012166 -1.203601
C 5.714764 -0.992602 -0.272865
C 5.866509 1.213994 0.711620
C 6.486255 0.060480 0.175432
C -6.292188 -0.639713 1.672980
C -3.061914 3.376226 -1.426097
H -3.270867 -0.466928 -0.917834
H -2.374666 0.641118 1.786898
H -2.790256 -2.818306 -0.211205
H -2.058658 -2.286892 1.304704
H -0.264741 -2.895801 -0.300990
H -0.333706 2.354904 1.374258
H 2.144174 2.276940 1.258018
H 1.523772 -2.802088 -0.966128
H 3.989064 -2.893235 -1.090642
H 4.016677 2.185072 1.202167
H 6.182815 -1.883758 -0.688833
H 6.487761 2.037536 1.060384
H 7.572809 0.015899 0.120777
H -6.712250 0.304934 2.054281
H -5.855229 -1.181143 2.527198
H -7.134466 -1.237177 1.288796
H -2.419532 3.951350 -2.110236
H -3.174089 3.947286 -0.491664
H -4.061063 3.309025 -1.890722


%chk=000187246-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187246

0 1
Br -0.943190 -2.378027 -2.203512
O -4.197164 -0.866782 0.864257
O -2.658350 1.717797 0.503049
O -5.181778 0.492992 -0.767401
O -1.957642 1.493557 -1.719033
C -2.861948 -0.761779 0.203441
C -2.076116 0.385564 0.853641
C -2.144888 -2.085629 0.476435
C 0.075342 -0.859448 0.156856
C -0.737308 -2.092037 -0.129595
C -0.568747 0.313200 0.612142
C 1.514888 -0.881902 0.018231
C 2.292799 0.280832 0.371009
C 0.209293 1.454340 0.952589
C 1.598991 1.438991 0.835832
C 3.753329 0.251852 0.249089
C 2.205050 -2.052727 -0.479166
C 4.393391 -0.945044 -0.236610
C 3.581513 -2.080766 -0.599087
C 4.586658 1.362258 0.591391
C -5.276485 -0.186344 0.277202
C -2.595580 2.121974 -0.851798
C 5.816304 -0.994504 -0.362385
C 5.980642 1.295125 0.462288
C 6.605490 0.108149 -0.018431
C -6.527948 -0.395006 1.100683
C -3.420118 3.367822 -1.057139
H -2.997871 -0.591136 -0.877272
H -2.271616 0.355271 1.943284
H -2.738849 -2.923721 0.077167
H -2.049936 -2.232754 1.572614
H -0.209171 -3.018659 0.137685
H -0.302998 2.355653 1.304976
H 2.155531 2.340014 1.108005
H 1.629924 -2.924107 -0.802521
H 4.081259 -2.976551 -0.986333
H 4.141944 2.290359 0.962547
H 6.280812 -1.914509 -0.736392
H 6.594259 2.161706 0.731894
H 7.695341 0.064180 -0.117671
H -6.468070 0.211274 2.022671
H -6.624249 -1.450251 1.403300
H -7.408791 -0.080552 0.522461
H -3.059805 3.914420 -1.941541
H -3.402937 4.013620 -0.165198
H -4.464803 3.052285 -1.235058


