%chk=000035102.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035102

0 1
 Br  -2.571700      -3.539900     -2.4400000E-02
 N    1.835700     -0.9316000      2.7500000E-02
 N   -2.135400       1.563300      1.9999999E-04
 N  -0.1329000      0.3428000      1.4900000E-02
 N  -0.2222000      -2.055000      4.3000001E-03
 N   -2.254100     -0.7786000     -9.9999998E-03
 C    2.681500      0.2376000      3.9700001E-02
 C    4.153100     -0.1599000     -1.1000000E-02
 C    5.088200       1.040900     -4.5699999E-02
 C   0.4506000     -0.8795000      1.5300000E-02
 C   -1.436300       2.810000      1.1500000E-02
 C   -1.475300      0.3153000      1.9000000E-03
 C   -2.422400       3.961900     -1.6100001E-02
 C   -1.558800      -1.927400     -8.1000002E-03
 H    2.492800      0.8246000      0.9465000    
 H    2.450100      0.8723000     -0.8244000    
 H    4.337900     -0.7799000     -0.8971000    
 H    4.397800     -0.7802000      0.8600000    
 H    2.257700      -1.853300      3.3199999E-02
 H    4.897500       1.659100     -0.9287000    
 H    4.957100       1.663300      0.8450000    
 H    6.130600      0.7095000     -7.9999998E-02
 H  -0.8165000       2.892500      0.9118000    
 H  -0.7765000       2.887100     -0.8605000    
 H   -3.148700       1.538600     -7.8999996E-03
 H   -3.046700       3.924600     -0.9153000    
 H   -3.087200       3.932200      0.8540000    
 H   -1.892100       4.919300     -8.0000004E-03


%chk=000035102-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035102

0 1
Br -2.588449 -3.585039 0.003436
N 1.840990 -0.935053 0.016975
N -2.149658 1.558492 0.003132
N -0.104197 0.391532 0.013840
N -0.208641 -2.059367 0.010770
N -2.262048 -0.776513 0.003489
C 2.738280 0.231743 0.023828
C 4.211447 -0.216657 -0.029894
C 5.173212 0.990261 -0.023777
C 0.480631 -0.848726 0.014049
C -1.493559 2.876916 0.006893
C -1.475243 0.373330 0.007318
C -2.545696 3.996951 -0.021615
C -1.544505 -1.912959 0.005882
H 2.552175 0.837023 0.932904
H 2.499967 0.882142 -0.839900
H 4.378875 -0.822026 -0.942983
H 4.430227 -0.870582 0.838047
H 2.227128 -1.881009 0.021327
H 4.994113 1.645286 -0.896406
H 5.040905 1.599187 0.889679
H 6.226112 0.659483 -0.059820
H -0.852765 2.963898 0.905183
H -0.818854 2.950157 -0.867174
H -3.169127 1.491218 -0.000225
H -3.171025 3.938119 -0.931356
H -3.207928 3.949788 0.862467
H -2.048567 4.982003 -0.017472


