%chk=000096737.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096737

0 1
 Br   4.027500      -3.156400      8.9999998E-04
 O  -0.2277000      5.3800002E-02 -1.3000000E-03
 N   0.2670000       2.235500      1.9999999E-04
 N   -1.109700       2.109700      1.3000000E-03
 C    2.092700      0.5359000     -1.2000001E-03
 C   -2.597000      0.1074000      6.0000003E-04
 C   0.7399000       1.011100     -1.0000000E-03
 C   -1.345100      0.8242000      9.9999997E-05
 C    2.359600     -0.8378000     -3.0000001E-04
 C    3.158900       1.442100     -8.9999998E-04
 C   -2.603000      -1.287500     -1.9999999E-04
 C   -3.802000      0.8099000      1.0000000E-03
 C    3.675900      -1.299300      6.0000003E-04
 C    4.475200      0.9807000      1.9999999E-04
 C   -3.814000      -1.979800     -7.9999998E-04
 C   -5.013000      0.1177000      5.0000002E-04
 C    4.733700     -0.3901000      7.9999998E-04
 C   -5.019000      -1.277100     -3.9999999E-04
 H    1.550100      -1.564900     -3.0000001E-04
 H    2.982200       2.515200     -1.2000001E-03
 H   -1.685000      -1.869600     -6.9999998E-04
 H   -3.821200       1.897100      1.4000000E-03
 H    5.298900       1.688500      3.9999999E-04
 H   -3.819200      -3.065900     -1.5000000E-03
 H   -5.951400      0.6646000      7.9999998E-04
 H    5.765100     -0.7329000      1.5000000E-03
 H   -5.961900      -1.816100     -8.9999998E-04


%chk=000096737-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096737

0 1
Br 4.395416 -3.153450 0.000113
O -0.212313 -0.086335 -0.000063
N 0.302727 2.136840 0.000952
N -1.122434 2.006660 0.000986
C 2.209445 0.483803 0.000203
C -2.697218 0.031590 0.000019
C 0.811032 0.894986 0.000398
C -1.398064 0.691559 0.000305
C 2.556438 -0.894259 0.000243
C 3.226413 1.477257 -0.000014
C -2.800197 -1.385970 -0.000230
C -3.875506 0.828692 0.000020
C 3.916518 -1.251447 0.000074
C 4.579602 1.088146 -0.000167
C -4.071253 -1.996521 -0.000496
C -5.140297 0.209041 -0.000243
C 4.941217 -0.281117 -0.000122
C -5.243460 -1.203585 -0.000507
H 1.773970 -1.657738 0.000396
H 2.939911 2.533189 -0.000065
H -1.891545 -1.996441 -0.000208
H -3.780053 1.919203 0.000231
H 5.366606 1.849074 -0.000332
H -4.147983 -3.089101 -0.000688
H -6.045520 0.825518 -0.000245
H 5.993045 -0.581534 -0.000228
H -6.228997 -1.682062 -0.000730


