%chk=000096327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096327

0 1
 Br  -5.251400      0.7925000     -2.7000001E-03
 N    1.624200     -4.2599998E-02  1.1000000E-03
 N    2.858900     -0.6844000     -1.0000000E-03
 N    5.196800     -0.1543000     -2.9000000E-03
 N    3.637200       1.516200      2.0999999E-03
 C  -0.7538000     -0.4996000      1.5000000E-03
 C   -1.757500      -1.468100      8.9999998E-04
 C   -1.090500      0.8540000      1.1000000E-03
 C   -3.098200      -1.082800     -9.9999997E-05
 C   -2.431200       1.239100      1.9999999E-04
 C   -3.435100      0.2707000     -3.9999999E-04
 C   0.6442000     -0.9009000      1.3000000E-03
 C    3.856600      0.1601000     -1.0000000E-03
 H   -1.510700      -2.526700      8.9999998E-04
 H  -0.3299000       1.630200      1.3000000E-03
 H   -3.868400      -1.849900     -6.9999998E-04
 H   -2.676900       2.298000     -3.0000001E-04
 H   0.8541000      -1.986900      9.9999997E-05
 H    5.909900      0.5667000     -1.9000000E-03
 H    5.508300      -1.119500     -4.6000001E-03
 H    2.697000       1.896700      4.4000000E-03
 H    4.406600       2.176900      2.7999999E-03


%chk=000096327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096327

0 1
Br -5.353155 0.790720 0.001039
N 1.673648 -0.072303 -0.000216
N 2.949998 -0.676821 -0.000621
N 5.225488 -0.189791 -0.000508
N 3.673086 1.614558 0.000919
C -0.728705 -0.493279 -0.000163
C -1.761291 -1.474203 -0.000423
C -1.106265 0.882215 0.000433
C -3.123840 -1.107730 -0.000079
C -2.460908 1.264167 0.000789
C -3.457288 0.261663 0.000534
C 0.669644 -0.930211 -0.000545
C 3.920408 0.261672 -0.000046
H -1.494148 -2.537978 -0.000911
H -0.319202 1.642747 0.000603
H -3.906612 -1.871427 -0.000290
H -2.742118 2.321471 0.001245
H 0.872731 -2.015024 -0.001119
H 6.026962 0.432308 0.000180
H 5.358604 -1.198037 -0.001196
H 2.678380 1.853417 0.001214
H 4.394784 2.327266 0.001260


