%chk=000161719.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161719

0 1
 Br   4.861600      -1.677900     -2.4999999E-03
 Br   4.837600       1.713400      1.5000000E-03
 O  -0.4958000      -2.673100     -2.2000000E-03
 O  -0.4773000       2.669800     -3.3000000E-03
 O    2.033000       2.764600      1.4000000E-03
 O   -3.039300      -2.763400      2.2000000E-03
 N    2.048200      -2.811700     -8.9999998E-04
 N   -3.055700       2.802100     -3.9999999E-04
 C   0.7947000     -0.6980000      9.9999997E-05
 C   0.7926000      0.6985000      9.9999997E-05
 C   -1.753600      0.6945000     -3.9999999E-04
 C   -1.751400     -0.7019000      1.9999999E-04
 C  -0.4771000      -1.449200     -1.9999999E-04
 C  -0.4817000       1.445700     -7.9999998E-04
 C    2.009300      -1.394300      6.9999998E-04
 C   -2.968100       1.390900     -5.0000002E-04
 C    2.004900       1.398600      7.9999998E-04
 C   -2.963900      -1.402000      6.9999998E-04
 C    3.215200     -0.6927000      1.1000000E-03
 C    3.213000      0.7008000      1.4000000E-03
 C   -4.174100      0.6894000      1.9999999E-04
 C   -4.172000     -0.7041000      8.9999998E-04
 H   -5.126200       1.214600      5.0000002E-04
 H   -5.117300      -1.240400      1.6000000E-03
 H    2.943800      -3.282400      1.9000000E-03
 H    1.202000      -3.361700      2.4999999E-03
 H   -2.222700       3.373000     -2.2000000E-03
 H   -3.962500       3.250900     -1.9000000E-03
 H    1.164800       3.130400      0.2254000    
 H   -2.154900      -3.158000      7.4000000E-03


%chk=000161719-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161719

0 1
Br 4.935599 -1.681332 0.009617
Br 4.862078 1.762817 0.028158
O -0.543043 -2.783955 -0.006817
O -0.431623 2.774951 0.022671
O 2.021575 2.788003 0.028062
O -3.020193 -2.791434 -0.011800
N 2.048776 -2.831810 -0.002484
N -3.039596 2.820309 0.017144
C 0.778110 -0.745769 0.006666
C 0.773819 0.691096 0.014380
C -1.743093 0.739416 0.009152
C -1.739241 -0.702336 0.001472
C -0.489034 -1.455824 -0.000168
C -0.480286 1.445268 0.015580
C 2.028955 -1.463016 0.005348
C -2.997131 1.447424 0.010140
C 2.001202 1.425294 0.020904
C -2.974320 -1.422717 -0.004817
C 3.252184 -0.693830 0.012120
C 3.245026 0.707113 0.019637
C -4.219931 0.687177 0.003594
C -4.209906 -0.703876 -0.003668
H -5.175169 1.225139 0.004379
H -5.138676 -1.281516 -0.008609
H 2.934372 -3.335468 -0.003489
H 1.123967 -3.298989 -0.007842
H -2.130567 3.312657 0.020787
H -3.930201 3.312918 0.017826
H 0.998348 3.087333 0.027619
H -2.014900 -3.108641 -0.010262


